 | | R18 | | Name: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE | | Formula: | C19 H24 O2 | | SMILES: | O=C4C=C3C(=C2C=CC1(C(CCC1(O)C)C2CC3)C)CC4 | | InChi: | InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | | Synonyms: | METHYLTRIENOLONE | | Definition date: | 2000-06-15 | | Last modified: | 2020-06-17 | | Identifier: | (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one |
|
 | | O8M | | Name: | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide | | Formula: | C14 H21 N7 O4 | | SMILES: | O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1 | | Synonyms: | 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide |
|
 | | OCV | | Name: | N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE | | Formula: | C14 H24 N2 O7 S | | SMILES: | O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1 | | Synonyms: | L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER | | Definition date: | 2001-04-12 | | Last modified: | 2020-06-17 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
|
 | | 524 | | Name: | (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH
EXYL)BUTANAMIDE | | Formula: | C22 H31 F N6 O2 | | SMILES: | FC4CCN(C(=O)C(N)C(C(=O)N(C)C)C3CCC(c1cccc2ncnn12)CC3)C4 | | InChi: | InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1 | | Synonyms: | 5-(4-{(1S,2S)-2-AMMONIO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIA
ZOLO[1,5-A]PYRIDIN-1-IUM | | Definition date: | 2007-09-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcyclohexyl)butanamide |
|
 | | 55X | | Name: | S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12
-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl}
(2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) | | Formula: | C48 H75 N7 O15 P2 S | | SMILES: | C(SC(C(C)CCCC(C)C4CCC3C4(CCC2C1(CCC(=O)C=C1CCC23)C)C)=O)CNC(=O)CCNC(=O)C(O)C(COP(OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(O)(=O)O)(O)=O)(C)C | | InChi: | InChI=1S/C48H75N7O15P2S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)73-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-68-72(65,66)67-23-35-39(70-71(62,63)64)38(58)44(69-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35?,38?,39?,40?,44?,47+,48-/m1/s1 | | Synonyms: | S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxi
do-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl}
(2S,6R)-6-[(8S,9S,10R,13R,14R,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) | | Definition date: | 2015-07-31 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-17 | | Identifier: | S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) |
|
 | | OLV | | Name: | cyclohexyl
[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,
16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-
yl]carbamate | | Formula: | C39 H52 N6 O9 S | | SMILES: | C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CCCCC6)C7)=O | | InChi: | InChI=1S/C39H52N6O9S/c1-24-34(41-31-20-27(52-3)16-17-29(31)40-24)53-28-21-32-33(46)43-39(36(48)44-55(50,51)38(2)18-19-38)22-25(39)12-8-5-4-6-11-15-30(35(47)45(32)23-28)42-37(49)54-26-13-9-7-10-14-26/h8,12,16-17,20,25-26,28,30,32H,4-7,9-11,13-15,18-19,21-23H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,28-,30+,32+,39-/m1/s1 | | Synonyms: | P4-6 (NR03-67) | | Definition date: | 2019-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-04 | | Identifier: | cyclohexyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | OM7 | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo
propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl
opentadecine-14a(5H)-carboxamide | | Formula: | C40 H55 N7 O9 S | | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(C)=O)C(CC)C)=O)=O)=O | | InChi: | InChI=1S/C40H55N7O9S/c1-7-23(2)33(42-25(4)48)35(50)43-30-14-12-10-8-9-11-13-26-21-40(26,38(52)46-57(53,54)39(5)17-18-39)45-34(49)32-20-28(22-47(32)37(30)51)56-36-24(3)41-29-16-15-27(55-6)19-31(29)44-36/h11,13,15-16,19,23,26,28,30,32-33H,7-10,12,14,17-18,20-22H2,1-6H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t23-,26+,28+,30-,32-,33-,40+/m0/s1 | | Synonyms: | P4-P5-4 (AJ-65) | | Definition date: | 2019-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-04 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide |
|
 | | 8V2 | | Name: | methyl
(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid
ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,
7}]tridec-8-ene-13-carboxylate | | Formula: | C36 H42 Cl N5 O7 | | SMILES: | COC(=O)[CH]1CC[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45 | | InChi: | InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-3-4-7-26(23)37)31(44)40-18-5-16-36(40)17-14-25-10-12-28(42(25)35(36)48)32(45)39-19-15-22-8-9-24-11-13-29(34(47)49-2)41(24)33(46)30(22)39/h3-4,6-9,14,17,22,24-25,27-30H,5,10-13,15-16,18-20H2,1-2H3,(H,38,43)/t22-,24-,25-,27-,28-,29+,30-,36+/m0/s1 | | Synonyms: | Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe | | Definition date: | 2017-03-10 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | methyl (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate |
|
 | | R4B | | Name: | N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a
lanyl-L-alaninamide | | Formula: | C31 H31 Br Cl N4 O6 P | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)C)C | | InChi: | InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1 | | Synonyms: | RXP470B | | Definition date: | 2012-10-04 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-01 | | Identifier: | N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alanyl-L-alaninamide |
|
 | | 90L | | Name: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e
thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol | | Formula: | C29 H48 O4 | | SMILES: | C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C=CC3=C[CH](O)[CH](CCCO)[CH](O)C3 | | InChi: | InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h9,11-12,18,20,23-27,30-33H,5-8,10,13-17,19H2,1-4H3/b12-11+/t20-,23+,24-,25-,26-,27-,29-/m1/s1 | | Synonyms: | (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl
}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | | Definition date: | 2017-11-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | (1~{R},2~{R},3~{R})-5-[(~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3~{a},6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol |
|
 | | 925 | | Name: | 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide | | Formula: | C28 H32 N6 O3 | | SMILES: | CC1(C)CC(CC(C)(C)N1O)NC(=O)c2cccc(c2)c3cc4nccc(Nc5cccc(O)c5)n4n3 | | InChi: | InChI=1S/C28H32N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35,37H,16-17H2,1-4H3,(H,31,36) | | Synonyms: | N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-(7-(3-hydroxyphenylamino)pyrazolo[1,5-a]pyrimidin-2-yl)benzamide | | Definition date: | 2010-01-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide |
|
 | | RBV | | Name: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide | | Formula: | C8 H12 N4 O5 | | SMILES: | O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 | | Synonyms: | Ribavirin | | Definition date: | 2011-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide |
|
 | | 94R | | Name: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol | | Formula: | C28 H46 O | | SMILES: | C1C2(C(CC(O)C1)=CCC4C2CCC3(C)C(CCC34)C(CC/C(C(C)C)=C)C)C | | InChi: | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 | | Synonyms: | 24-methylenecholesterol | | Definition date: | 2017-12-18 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-08 | | Identifier: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol |
|
 | | RFC | | Name: | (R)-IBUPROFENOYL-COENZYME A | | Formula: | C34 H53 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)CC(C)C)C | | InChi: | InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H8,35,36,37,38,39,42,45,47,48,49,50,51,52,53)/p+1/t20-,23-,26-,27-,28+,32-/m1/s1 | | Synonyms: | [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL
ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-
YL]OXYPHOSPHONIC ACID | | Definition date: | 2006-03-23 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-9-[(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-{(3S,5R,9R,20R)-3,5,9-trihydroxy-8,8-dimethyl-20-[4-(2-methylpropyl)phenyl]-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl}tetrahydrofuran-2-yl]-7H-purin-9-ium (non-preferred name) |
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 | | RGA | | Name: | REIDISPONGIOLIDE A | | Formula: | C54 H87 N O13 | | SMILES: | O=CN(C=CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C)C | | InChi: | InChI=1S/C54H87NO13/c1-35-18-16-20-51(58)68-54(41(7)53(66-15)37(3)23-26-46(57)39(5)47(63-12)19-17-27-55(8)34-56)38(4)22-25-43(60-9)32-48(64-13)36(2)21-24-44(61-10)33-49(65-14)40(6)50-30-42(31-52(59)67-50)29-45(28-35)62-11/h16-18,20-22,24-25,27,31,34,36-41,43-45,47-50,53-54H,19,23,26,28-30,32-33H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,35-18+/t36-,37-,38-,39-,40+,41-,43-,44+,45+,47+,48-,49-,50+,53-,54-/m0/s1 | | Synonyms: | N-((E)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((5Z,7Z,13Z,19Z)-3,15,17,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIO
XO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)DODEC-1-ENYL)-N-METHYLFORMAMIDE | | Definition date: | 2005-08-30 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1E,4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl}-N-methylformamide |
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 | | RGT | | Name: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl
5-O-phosphono-beta-D-ribofuranoside | | Formula: | C15 H25 N5 O21 P4 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(nc(nc12)N)OC3OC(C(O)C3O)COP(=O)(O)O)C(O)C4O | | InChi: | InChI=1S/C15H25N5O21P4/c16-15-18-11-6(12(19-15)39-14-10(24)8(22)5(38-14)1-35-42(25,26)27)17-3-20(11)13-9(23)7(21)4(37-13)2-36-44(31,32)41-45(33,34)40-43(28,29)30/h3-5,7-10,13-14,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,16,18,19)(H2,25,26,27)(H2,28,29,30)/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1 | | Synonyms: | (Ribose-5'-phosphate)-(guanosine-5'-triphosphate) | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside |
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 | | 6SB | | Name: | Taurodeoxycholate | | Formula: | C26 H45 N O6 S | | SMILES: | C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C | | InChi: | InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 | | Synonyms: | 2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6
,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid | | Definition date: | 2016-06-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-07-20 | | Identifier: | 2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
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 | | 6SY | | Name: | Uridine-3',5'-cyclic monophosphate | | Formula: | C9 H11 N2 O8 P | | SMILES: | O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O | | InChi: | InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | cUMP | | Definition date: | 2016-06-16 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | 1-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione |
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 | | RI5 | | Name: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c
yclopropa[a]azulene-4,8(3H)-dione | | Formula: | C15 H16 O6 | | SMILES: | O=C3OC4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C | | InChi: | InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1 | | Synonyms: | PICROTOXIN | | Definition date: | 2011-04-15 | | Last modified: | 2020-06-17 | | Identifier: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione |
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 | | 9F3 | | Name: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane
]-3',4',7-triol | | Formula: | C12 H20 O10 | | SMILES: | OC[CH]1O[C]2(CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O2)[CH](O)[CH]1O | | InChi: | InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Beta-2,1'-alpha-2',3-Difructofuranose anhydride | | Definition date: | 2018-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | (2~{R},3'~{S},4'~{S},4~{a}~{R},5'~{R},6~{R},7~{R},7~{a}~{S})-4~{a},5',6-tris(hydroxymethyl)spiro[3,6,7,7~{a}-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol |
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 | | RP2 | | Name: | (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
2-sulfide | | Formula: | C10 H11 Br N5 O5 P S | | SMILES: | Brc2nc1c(ncnc1n2C4OC3COP(=S)(OC3C4O)O)N | | InChi: | InChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22-/m1/s1 | | Synonyms: | 8-Bromoadenosine-3',5'-cyclic monophosphorothioate | | Definition date: | 2010-11-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide |
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 | | NOM | | Name: | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE | | Formula: | C16 H12 O6 | | SMILES: | O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C | | InChi: | InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1 | | Synonyms: | NANAOMYCIN D | | Definition date: | 2002-12-10 | | Last modified: | 2020-06-17 | | Identifier: | (3aS,5S,11bR)-7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-2H-benzo[g]furo[3,2-c]isochromene-2,6,11-trione |
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 | | RXM | | Name: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1
5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2
5-yl acetate | | Formula: | C43 H51 N3 O11 | | SMILES: | N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn3c6c4c5O)O)C)C)OC)OC(C)=O)O)O | | InChi: | InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1 | | Synonyms: | Rifaximin | | Definition date: | 2017-10-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-18 | | Identifier: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate |
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 | | PMX | | Name: | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine | | Formula: | C14 H14 Cl N O6 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC | | InChi: | InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1 | | Synonyms: | (+)-Xylariamide A | | Definition date: | 2010-11-02 | | Last modified: | 2020-06-17 | | Identifier: | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine |
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 | | 2BA | | Name: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8
]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide | | Formula: | C20 H24 N10 O12 P2 | | SMILES: | O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O | | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate | | Definition date: | 2008-01-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide |
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