 | | T5E | | Name: | 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1
,3,6,8(2H,7H)-tetrone | | Formula: | C50 H80 N12 O4 | | SMILES: | O=C6c2c5c3c(c(NCCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCCN4CCN(C)CC4)c5C(=O)N6CCCCN7CCN(CC7)C)CCCCN8CCN(C)CC8 | | InChi: | InChI=1S/C50H80N12O4/c1-53-21-29-57(30-22-53)15-7-5-13-51-41-37-39-44-43-40(48(64)61(49(65)45(41)43)19-11-9-17-59-33-25-55(3)26-34-59)38-42(52-14-6-8-16-58-31-23-54(2)24-32-58)46(44)50(66)62(47(39)63)20-12-10-18-60-35-27-56(4)28-36-60/h37-38,51-52H,5-36H2,1-4H3 | | Synonyms: | BMSG-SH2 | | Definition date: | 2011-08-03 | | Last modified: | 2020-06-17 | | Identifier: | 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
|
 | | C3D | | Name: | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL | | Formula: | C28 H31 N O2 | | SMILES: | O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5 | | InChi: | InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | | Synonyms: | Lasofoxifene | | Definition date: | 2007-02-21 | | Last modified: | 2020-06-17 | | Identifier: | (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol |
|
 | | T5X | | Name: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia
zol-3-ium-2-yl}-5-O-phosphono-D-xylitol | | Formula: | C17 H30 N4 O15 P3 S | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | | InChi: | InChI=1S/C17H29N4O15P3S/c1-9-13(3-4-34-39(32,33)36-38(29,30)31)40-16(21(9)6-11-5-19-10(2)20-15(11)18)17(25,8-22)14(24)12(23)7-35-37(26,27)28/h5,12,14,22-25H,3-4,6-8H2,1-2H3,(H6-,18,19,20,26,27,28,29,30,31,32,33)/p+1/t12-,14+,17+/m1/s1 | | Synonyms: | D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | | Definition date: | 2007-10-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-5-O-phosphono-D-xylitol |
|
 | | T64 | | Name: | (6-4)photoproduct | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O | | InChi: | InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1 | | Synonyms: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-
tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate | | Definition date: | 2011-07-26 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-02 | | Identifier: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name) |
|
 | | T8X | | Name: | 2-O-sulfo-alpha-D-glucopyranosyl
2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside | | Formula: | C56 H104 O16 S | | SMILES: | O=S(=O)(O)OC2C(O)C(O)C(OC2OC1OC(CO)C(O)C(OC(=O)/C(=C/C(C)CC(C)CC(C)CCCCCCCCCCCCCCCC)C)C1OC(=O)CCCCCCCCCCCCCCC)CO | | InChi: | InChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1 | | Synonyms: | 2-Palmitoyl-3-[2S,4S,6S,8S-tetramethyl-trans-2-tetracosenoyl]-2'-sulfate-alpha-alpha'-D-trehalose | | Definition date: | 2011-08-18 | | Last modified: | 2020-06-17 | | Identifier: | 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside |
|
 | | C7M | | Name: | (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA
N-2-AMINIUM | | Formula: | C25 H30 Cl N6 O4 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4 | | InChi: | InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium |
|
 | | C8M | | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | | Formula: | C15 H23 N7 O4 | | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
|
 | | TBN | | Name: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C11 H14 N4 O4 | | SMILES: | OCC3OC(n2ccc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1 | | Synonyms: | 7-DEAZAADENOSINE | | Definition date: | 2003-06-23 | | Last modified: | 2020-06-17 | | Identifier: | 7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
|
 | | TBO | | Name: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE | | Formula: | C16 H20 Cl N3 S | | SMILES: | S=C2Nc1ccc(Cl)c3c1N2CC(N(C3)CC=C(/C)C)C | | InChi: | InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1 | | Synonyms: | TBO 8 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione |
|
 | | TBS | | Name: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE | | Formula: | C6 H Br4 N3 | | SMILES: | Brc2c1c(nnn1)c(Br)c(Br)c2Br | | InChi: | InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13) | | Synonyms: | TETRABROMO-2-BENZOTRIAZOLE | | Definition date: | 2001-05-31 | | Last modified: | 2020-06-17 | | Identifier: | 4,5,6,7-tetrabromo-1H-benzotriazole |
|
 | | TEJ | | Name: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one | | Formula: | C27 H38 O4 | | SMILES: | O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C | | InChi: | InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1 | | Synonyms: | (23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone | | Definition date: | 2009-05-21 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one |
|
 | | TGF | | Name: | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM
INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID | | Formula: | C30 H37 N9 O13 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O | | InChi: | InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1 | | Synonyms: | TRIGLU-5-FORMYL-TETRAHYDROFOLATE | | Definition date: | 2002-12-02 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
|
 | | TGS | | Name: | 1-deoxy-D-xylo-hex-3-ulose | | Formula: | C6 H12 O5 | | SMILES: | CC(O)C(C(C(CO)O)O)=O | | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1 | | Synonyms: | 1-deoxy 3-keto-D-galactitol | | Definition date: | 2015-03-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-23 | | Identifier: | 1-deoxy-D-xylo-hex-3-ulose |
|
 | | THH | | Name: | N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | | Formula: | C20 H25 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(c3c(nc(nc3NC2)N)O)C)CCC(=O)O | | InChi: | InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 | | Synonyms: | 5-METHYLTETRAHYDROFOLATE | | Definition date: | 2004-11-16 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
|
 | | THX | | Name: | PHOSPHONIC ACID
6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CA
RBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER | | Formula: | C50 H53 N10 O12 P | | SMILES: | O=C(N)N%11c1c(c2cc(nc2cc1)C(=O)N%10c3c(c4cc(nc4cc3)C(=O)N9c5c(c6cc(nc6cc5)C(=O)NCCCCCCOP(=O)(O)OCC8OC(N7C(=O)NC(=O)C(=C7)C)CC8O)CC9)CC%10)CC%11 | | InChi: | InChI=1S/C50H53N10O12P/c1-26-24-60(50(67)56-45(26)62)44-23-42(61)43(72-44)25-71-73(68,69)70-19-5-3-2-4-15-52-46(63)36-20-30-27-12-16-57(39(27)9-6-33(30)53-36)47(64)37-21-31-28-13-17-58(40(28)10-7-34(31)54-37)48(65)38-22-32-29-14-18-59(49(51)66)41(29)11-8-35(32)55-38/h6-11,20-22,24,42-44,53-55,61H,2-5,12-19,23,25H2,1H3,(H2,51,66)(H,52,63)(H,68,69)(H,56,62,67)/t42-,43+,44+/m0/s1 | | Synonyms: | CDPI3 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(S)-{[6-({[6-({6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hexyl]oxy}(hydroxy)phosphoryl]thymidine |
|
 | | GGD | | Name: | NONADEC-10-ENOIC ACID
2-[3,4-DIHYDROXY-6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]
-1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER | | Formula: | C52 H94 O15 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC/C=C/CCCCCCCC)COC2OC(CO)C(O)C(OC1OC(C(O)C(O)C1O)CO)C2O)CCCCCCC/C=C/CCCCCCCC | | InChi: | InChI=1S/C52H94O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(56)64-40(38-62-43(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-63-51-49(61)50(46(58)42(37-54)65-51)67-52-48(60)47(59)45(57)41(36-53)66-52/h17-20,40-42,45-54,57-61H,3-16,21-39H2,1-2H3/b19-17+,20-18+/t40?,41-,42-,45-,46+,47+,48-,49-,50+,51-,52+/m1/s1 | | Synonyms: | GLUCOSYL-GALACTOSYL DIACYL-GLYCEROL | | Definition date: | 2002-07-25 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-2-[(3-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-1-{[(9E)-octadec-9-enoyloxy]methyl}ethyl (10E)-nonadec-10-enoate |
|
 | | TIC | | Name: | ticlopidine | | Formula: | C14 H14 Cl N S | | SMILES: | Clc1ccccc1CN3CCc2sccc2C3 | | InChi: | InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | | Synonyms: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | | Definition date: | 2010-01-22 | | Last modified: | 2020-06-17 | | Identifier: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
|
 | | TIY | | Name: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | | Formula: | C11 H8 O5 | | SMILES: | O=C2c1c(O)c(O)c(O)cc1C=CC=C2O | | InChi: | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) | | Synonyms: | Purpurogallin | | Definition date: | 2011-08-30 | | Last modified: | 2020-06-17 | | Identifier: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
|
 | | TLC | | Name: | 2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE | | Formula: | C12 H17 N2 O9 P | | SMILES: | O=C1C(=CN(C(=O)N1)C3OC(C2(O)CCOC23)COP(=O)(O)O)C | | InChi: | InChI=1S/C12H17N2O9P/c1-6-4-14(11(16)13-9(6)15)10-8-12(17,2-3-21-8)7(23-10)5-22-24(18,19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,13,15,16)(H2,18,19,20)/t7-,8-,10-,12-/m1/s1 | | Synonyms: | [3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE | | Definition date: | 2000-02-25 | | Last modified: | 2020-06-17 | | Identifier: | [(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl dihydrogen phosphate |
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 | | GKA | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl
cyclopropyl)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]diaz
acyclopentadecine-14a(5H)-carboxamide | | Formula: | C40 H55 N7 O9 S | | SMILES: | c2(nc1cc(OC)ccc1nc2C)OC3CN5C(C3)C(NC6(C(NS(C4(C)CC4)(=O)=O)=O)C(C=CCCCCCC(C5=O)NC(C(NC(C)=O)C(C)(C)C)=O)C6)=O | | InChi: | InChI=1S/C40H55N7O9S/c1-23-35(44-30-19-26(55-7)15-16-28(30)41-23)56-27-20-31-33(49)45-40(37(52)46-57(53,54)39(6)17-18-39)21-25(40)13-11-9-8-10-12-14-29(36(51)47(31)22-27)43-34(50)32(38(3,4)5)42-24(2)48/h11,13,15-16,19,25,27,29,31-32H,8-10,12,14,17-18,20-22H2,1-7H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t25-,27-,29+,31+,32-,40-/m1/s1 | | Synonyms: | P4-P5-2 (AJ-67) | | Definition date: | 2018-05-24 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-31 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)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 |
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 | | TNH | | Name: | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide | | Formula: | C25 H30 N4 O | | SMILES: | O=C(NCCCCCCNc1c3ccccc3nc2c1CCCC2)c4cccnc4 | | InChi: | InChI=1S/C25H30N4O/c30-25(19-10-9-15-26-18-19)28-17-8-2-1-7-16-27-24-20-11-3-5-13-22(20)29-23-14-6-4-12-21(23)24/h3,5,9-11,13,15,18H,1-2,4,6-8,12,14,16-17H2,(H,27,29)(H,28,30) | | Synonyms: | 2-{2-[(1,2,3,4-tetrahydroacridin- 9-yl)amino]hexyl}N-nicotinamide | | Definition date: | 2014-11-28 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-23 | | Identifier: | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide |
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 | | GMC | | Name: | (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL | | Formula: | C12 H18 N6 O3 | | SMILES: | n2c1c(ncnc1N(C)C)n(c2)C3OC(C(N)C3O)CO | | InChi: | InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12-/m1/s1 | | Synonyms: | 6N-DIMETHYL-3'-DEOXY-AMINO-ADENOSINE | | Definition date: | 2001-11-05 | | Last modified: | 2020-06-17 | | Identifier: | 3'-amino-3'-deoxy-N,N-dimethyladenosine |
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 | | GMM | | Name: | GLUCOSE MONOMYCOLATE | | Formula: | C66 H126 O8 | | SMILES: | O=C(OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC=C/CCCCCCCCC=C/CCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C66H126O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h24-25,34-35,59-64,66-70,72H,3-23,26-33,36-58H2,1-2H3/b25-24-,35-34-/t59-,60-,61+,62-,63+,64-,66-/m1/s1 | | Synonyms: | 6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE | | Definition date: | 2006-10-19 | | Last modified: | 2020-06-17 | | Identifier: | 6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-alpha-L-idopyranose |
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 | | GOX | | Name: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL | | Formula: | C6 H12 N2 O5 | | SMILES: | OC1C(O)C(O)C(=NO)NC1CO | | InChi: | InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1 | | Synonyms: | D-GLUCONHYDROXIMO-1,5-LACTAM | | Definition date: | 2000-08-23 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime |
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 | | GP7 | | Name: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate | | Formula: | C36 H68 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7+,15-13+/t34-/m1/s1 | | Synonyms: | 1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine | | Definition date: | 2009-10-16 | | Last modified: | 2020-06-17 | | Identifier: | (18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (9E,12E)-hexadeca-9,12-dienoate |
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