 | | TY0 | | Name: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one | | Formula: | C14 H21 N O3 | | SMILES: | O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1 | | InChi: | InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1 | | Synonyms: | Z-Phe-Tyr(OBut)-COCHO | | Definition date: | 2010-11-01 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one |
|
 | | MZR | | Name: | 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide | | Formula: | C9 H13 N3 O6 | | SMILES: | O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | Mizoribine | | Definition date: | 2011-07-12 | | Last modified: | 2020-06-17 | | Identifier: | 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
|
 | | NSS | | Name: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE | | Formula: | C14 H21 N8 O8 S | | SMILES: | O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+] | | InChi: | InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/p+1/t5-,6+,9+,10+,14+/m0/s1 | | Synonyms: | ASN-SA | | Definition date: | 2005-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]sulfamoyl}adenosine |
|
 | | SQ | | Name: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE | | Formula: | C7 H12 N2 O2 | | SMILES: | O=C1C(=O)C(NCC)C1NC | | InChi: | InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3 | | Synonyms: | SQUARIC ACID | | Definition date: | 2002-08-13 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione |
|
 | | KZ9 | | Name: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE | | Formula: | C14 H14 N2 O2 S | | SMILES: | O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3 | | InChi: | InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1 | | Synonyms: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one | | Definition date: | 2010-02-26 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one |
|
 | | MZY | | Name: | 1,3-dihydroimidazole-2-thione | | Formula: | C3 H4 N2 S | | SMILES: | S=C1NC=CN1 | | InChi: | InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6) | | Synonyms: | 2-Mercaptoimidazole | | Definition date: | 2016-05-12 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-01 | | Identifier: | 1,3-dihydroimidazole-2-thione |
|
 | | GT0 | | Name: | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol | | Formula: | C9 H13 N O3 | | SMILES: | Oc1c(c(cnc1C)CO)COC | | InChi: | InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3 | | Synonyms: | ginkgotoxin | | Definition date: | 2012-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol |
|
 | | UD2 | | Name: | URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | | Formula: | C17 H27 N3 O17 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1 | | Synonyms: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | | Definition date: | 2001-02-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | K4V | | Name: | 4-nitrophenyl acetate | | Formula: | C8 H7 N O4 | | SMILES: | c1(ccc(OC(=O)C)cc1)[N+]([O-])=O | | InChi: | InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 | | Synonyms: | P-NITROPHENYL ACETATE | | Definition date: | 2018-10-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-26 | | Identifier: | 4-nitrophenyl acetate |
|
 | | UD6 | | Name: | [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate | | Formula: | C18 H28 N2 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O | | InChi: | InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10-,12-,13+,14-,15-,16-,17-/m1/s1 | | Synonyms: | UDP-2-ketoGlc | | Definition date: | 2011-05-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | NEU | | Name: | L-NEOPTERIN | | Formula: | C9 H11 N5 O4 | | SMILES: | O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO | | InChi: | InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1 | | Synonyms: | 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE | | Definition date: | 2004-08-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one |
|
 | | XXZ | | Name: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE | | Formula: | C20 H22 F N5 O | | SMILES: | O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4 | | InChi: | InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25) | | Synonyms: | AR-C120011 | | Definition date: | 2006-04-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine |
|
 | | NF | | Name: | N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE | | Formula: | C31 H30 N4 O4 | | SMILES: | O=C3c1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]CCN6C(=O)c5cccc4cccc(c45)C6=O | | InChi: | InChI=1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2/p+2 | | Synonyms: | LU-79553 | | Definition date: | 1999-09-02 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-bis[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]propane-1,3-diaminium |
|
 | | GTF | | Name: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H14 F2 N3 O13 P3 | | SMILES: | FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP(OP(O)(=O)OP(O)(O)=O)(O)=O | | InChi: | InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 | | Synonyms: | Gemcitabine-TRIPHOSPHATE | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) |
|
 | | JQV | | Name: | Mycalolide B | | Formula: | C52 H76 N4 O17 S | | SMILES: | n2c3c1nc(co1)C(C(C(CC(CC(CC(=O)OC(C(C(CC=Cc4nc(c2oc3)co4)OC)C)CC(C(CCC(OC(C(COC)OC)=O)C(C)C(C(C=[C@H]N(C=O)C)C)OC(C)=O)C)OC)O)S)=O)C)OC | | InChi: | InChI=1S/C52H76N4O17S/c1-29(16-17-42(73-52(62)45(66-11)27-63-8)33(5)48(71-34(6)58)30(2)18-19-56(7)28-57)43(65-10)23-44-32(4)41(64-9)14-13-15-46-53-38(25-68-46)50-55-39(26-70-50)51-54-37(24-69-51)49(67-12)31(3)40(60)22-36(74)20-35(59)21-47(61)72-44/h13,15,18-19,24-26,28-33,35-36,41-45,48-49,59,74H,14,16-17,20-23,27H2,1-12H3/b15-13+,19-18+/t29-,30+,31-,32+,33-,35-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1 | | Synonyms: | MycB | | Definition date: | 2018-09-17 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | (1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-1-[formyl(methyl)amino]-11-[(10S,11R,14S,16R,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-14-sulfanyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl (2R)-2,3-dimethoxypropanoate |
|
 | | K57 | | Name: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli
dine-4-carboxamide | | Formula: | C28 H37 N3 O5 S | | SMILES: | O=C(NC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)c1cccc(O)c1C)Cc2ccccc2)CSC3(C)C | | InChi: | InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1 | | Synonyms: | KNI-577 | | Definition date: | 2002-10-11 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
|
 | | GTG | | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE | | Formula: | C21 H30 N10 O18 P3 | | SMILES: | O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N | | InChi: | InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | | Synonyms: | MRNA CAP ANALOG N7-METHYL GPPPG | | Definition date: | 2002-11-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name) |
|
 | | NTE | | Name: | [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro
panoato(2-)]iron | | Formula: | C34 H31 Fe N5 O6 | | SMILES: | N45[Fe]26n1c8c(c(c1C=C3N2=C(C(=C3C)C=C[N+]([O-])=O)C=C4C(=C(C5=CC7=N6C(C(=C7C)CCC(=O)O)=C8)C=C)C)C)CCC(O)=O | | InChi: | InChI=1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27 | | Synonyms: | Nitriheme | | Definition date: | 2011-03-02 | | Last modified: | 2020-06-17 | | Identifier: | {3,3'-[7-ethenyl-3,8,13,17-tetramethyl-12-(2-nitroethenyl)porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
|
 | | KZS | | Name: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine | | Formula: | C20 H38 N4 O2 | | SMILES: | CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC | | InChi: | InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23) | | Synonyms: | GSK3368715 | | Definition date: | 2019-01-28 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine |
|
 | | YG | | Name: | WYBUTOSINE | | Formula: | C21 H29 N6 O12 P | | SMILES: | O=C(OC)C(NC(=O)OC)CCc3c(nc4N(c1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)n34)C)C | | InChi: | InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12-,14-,15-,18-/m1/s1 | | Synonyms: | Y-BASE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 7-{(3R)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one |
|
 | | UDM | | Name: | URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE | | Formula: | C18 H29 N3 O16 P2 | | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | | InChi: | InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1 | | Synonyms: | ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC
(((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC)
ANHYDRIDE | | Definition date: | 2005-09-21 | | Last modified: | 2020-06-17 | | Identifier: | [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid |
|
 | | SQS | | Name: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol | | Formula: | C18 H37 N O2 | | SMILES: | OCC(N)C(O)/C=C/CCCCCCCCCCCCC | | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 | | Synonyms: | D-Sphingosine | | Definition date: | 2013-04-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-08 | | Identifier: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol |
|
 | | NFD | | Name: | Nicotinamide 2-fluoro-adenine dinucleotide | | Formula: | C21 H26 F N7 O14 P2 | | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)nc(F)nc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H26FN7O14P2/c22-21-26-16(23)11-18(27-21)29(7-25-11)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,26,27,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1 | | Synonyms: | 2-fluoro-NAD+ | | Definition date: | 2009-07-14 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-azanyl-2-fluoro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
|
 | | RX3 | | Name: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT
OPHAN | | Formula: | C33 H36 N3 O7 P | | SMILES: | O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | | InChi: | InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1 | | Synonyms: | RXPA380 | | Definition date: | 2007-01-04 | | Last modified: | 2020-06-17 | | Identifier: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan |
|
 | | 1BD | | Name: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid | | Formula: | C11 H10 F3 N O3 | | SMILES: | FC(F)(F)c1ccccc1C=NOCCC(=O)O | | InChi: | InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+ | | Synonyms: | (E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid | | Definition date: | 2009-03-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid |
|
