 | | RGC | | Name: | REIDISPONGIOLIDE C | | Formula: | C52 H84 O14 | | SMILES: | O=C(O)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 | | InChi: | InChI=1S/C52H84O14/c1-32-16-15-17-49(56)66-52(38(7)51(64-14)34(3)20-23-43(53)36(5)44(61-11)24-25-48(54)55)35(4)19-22-40(58-8)30-45(62-12)33(2)18-21-41(59-9)31-46(63-13)37(6)47-28-39(29-50(57)65-47)27-42(26-32)60-10/h15-19,21-22,29,33-38,40-42,44-47,51-52H,20,23-28,30-31H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,32-16+/t33-,34-,35-,36-,37+,38-,40-,41+,42+,44+,45-,46-,47+,51-,52-/m0/s1 | | Synonyms: | (4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,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)D
ODECANOIC ACID | | Definition date: | 2005-08-30 | | Last modified: | 2020-06-17 | | Identifier: | (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]dodecanoic acid |
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 | | PG2 | | Name: | PROSTAGLANDIN D2 | | Formula: | C20 H32 O5 | | SMILES: | O=C1CC(O)C(CC=C/CCCC(=O)O)C1/C=C/C(O)CCCCC | | InChi: | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 | | Synonyms: | (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID | | Definition date: | 2004-01-06 | | Last modified: | 2020-06-17 | | Identifier: | (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid |
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 | | SOP | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
(3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN
DIPHOSPHATE | | Formula: | C24 H40 N7 O17 P3 S | | SMILES: | O=C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1 | | Synonyms: | S-(2-OXOPROPYL)-COENZYME A | | Definition date: | 2006-03-24 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
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 | | VHS | | Name: | 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE | | Formula: | C21 H22 Cl2 F N5 O | | SMILES: | Clc1ccc(F)c(Cl)c1C(Oc4cc(c2cn(nc2)C3CCNCC3)cnc4N)C | | InChi: | InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1 | | Synonyms: | S-CRIZOTINIB | | Definition date: | 2013-10-03 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine |
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 | | PUL | | Name: | (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX
ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE | | Formula: | C47 H66 O13 | | SMILES: | O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC=CC1O)C(C)C(O)C(C(=O)C=CC=CC=CC(O)C(OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C | | InChi: | InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26+,31-21+/t32-,33-,34+,35-,37+,38+,39-,40+,43-,44+,45+,46-,47-/m1/s1 | | Synonyms: | PULVOMYCIN | | Definition date: | 2005-11-18 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2S,4E,6E,8E,10S,12E,14E,16E,18R,19E)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxooxacyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-O-methyl-beta-D-galactopyranoside |
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 | | YPG | | Name: | [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y
l]-3-oxidanylidene-propyl]phosphonic acid | | Formula: | C14 H22 N6 O10 P2 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3OC[CH](O)[P](O)(O)=O)C(=O)CC[P](O)(O)=O | | InChi: | InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1 | | Synonyms: | [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | | Definition date: | 2016-01-12 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-18 | | Identifier: | [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-yl]-3-oxidanylidene-propyl]phosphonic acid |
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 | | 4WW | | Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~]
diiron(2+) | | Formula: | C8 H6 Fe2 N2 O3 S2 | | SMILES: | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | | InChi: | InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5 | | Synonyms: | propane-dithiolato-bridged [2Fe2S] cluster | | Definition date: | 2015-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-11 |
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 | | Z90 | | Name: | 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid | | Formula: | C36 H39 N O5 | | SMILES: | OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O | | InChi: | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | | Synonyms: | 4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid) | | Definition date: | 2010-01-23 | | Last modified: | 2020-06-17 | | Identifier: | 4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid |
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 | | 4WX | | Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+) | | Formula: | C7 H4 Fe2 N2 O3 S3 | | SMILES: | O=C1[Fe]|2(S|3CSCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | | InChi: | InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4 | | Synonyms: | sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster | | Definition date: | 2015-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-11 |
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 | | Z92 | | Name: | (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C17 H15 Cl N4 O3 | | SMILES: | COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3 | | InChi: | InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23) | | Synonyms: | (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one | | Definition date: | 2010-01-21 | | Last modified: | 2020-06-17 | | Identifier: | (4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one |
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 | | DNA | | Name: | 1,4-dihydroxy-2-naphthoic acid | | Formula: | C11 H8 O4 | | SMILES: | O=C(O)c2cc(O)c1ccccc1c2O | | InChi: | InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15) | | Synonyms: | 1,4-dihydroxynaphthalene-2-carboxylic acid | | Definition date: | 2009-07-10 | | Last modified: | 2020-06-17 | | Identifier: | 1,4-dihydroxynaphthalene-2-carboxylic acid |
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 | | Z93 | | Name: | 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium | | Formula: | C24 H19 N4 O4 | | SMILES: | COc1ccc2C=[N+](C[C]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1 | | InChi: | InChI=1S/C24H18N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-13H,14H2,1H3,(H-,26,27,30,31)/p+1/t24-/m0/s1 | | Synonyms: | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | | Definition date: | 2010-01-16 | | Last modified: | 2020-06-17 | | Identifier: | (5R)-5-[(6-methoxy-1-oxo-isoindol-2-ium-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione |
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 | | Z94 | | Name: | N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide | | Formula: | C11 H11 N3 O3 | | SMILES: | CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O | | InChi: | InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1 | | Synonyms: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID | | Definition date: | 2009-12-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide |
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 | | DND | | Name: | NICOTINIC ACID ADENINE DINUCLEOTIDE | | Formula: | C21 H27 N6 O15 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 | | Synonyms: | DEAMIDO-NAD+ | | Definition date: | 2001-04-16 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid |
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 | | SOX | | Name: | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC
ETAMIDE | | Formula: | C16 H20 N2 O5 S | | SMILES: | O=C2N1C(C(=O)O)C(C)(C)S(O)C1C2NC(=O)Cc3ccccc3 | | InChi: | InChI=1S/C16H20N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14,23-24H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | | Synonyms: | OXIDISED PENICILLIN G | | Definition date: | 2001-09-11 | | Last modified: | 2020-06-17 | | Identifier: | (2S,4S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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 | | SA8 | | Name: | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | | Formula: | C15 H23 N7 O5 | | SMILES: | O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | 5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE | | Definition date: | 2005-03-16 | | Last modified: | 2020-06-17 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine |
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 | | PGG | | Name: | PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE | | Formula: | C12 H15 N2 O8 P | | SMILES: | O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCC(=O)O | | InChi: | InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21) | | Synonyms: | N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE | | Definition date: | 1999-09-13 | | Last modified: | 2020-06-17 | | Identifier: | N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}glycine |
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 | | 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 |
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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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 | | SP5 | | Name: | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide | | Formula: | C12 H28 N4 O | | SMILES: | O=C(NCCCNCCCCNCCCN)C | | InChi: | InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) | | Synonyms: | N1-AcSpermine | | Definition date: | 2008-03-31 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide |
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 | | DNL | | Name: | 6-AMINO-HEXANAL | | Formula: | C6 H13 N O | | SMILES: | O=CCCCCCN | | InChi: | InChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h6H,1-5,7H2 | | Synonyms: | ALPHA-DEAMINO-LYSINAL | | Definition date: | 2001-09-05 | | Last modified: | 2020-06-17 | | Identifier: | 6-aminohexanal |
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 | | PGK | | Name: | (1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL
(9S,10S)-9,10-DIBROMOOCTADECANOATE | | Formula: | C40 H77 Br2 O10 P | | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C40H77Br2O10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-39(45)49-33-36(34-51-53(47,48)50-32-35(44)31-43)52-40(46)30-26-22-18-20-24-28-38(42)37(41)27-23-19-10-8-6-4-2/h35-38,43-44H,3-34H2,1-2H3,(H,47,48)/t35-,36-,37+,38+/m1/s1 | | Synonyms: | DIBROMINATED PHOSPHATIDYLGLYCEROL | | Definition date: | 2006-07-06 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate |
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 | | SAG | | Name: | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] | | Formula: | C17 H17 F N2 O2 | | SMILES: | O=C(N)C(/N=C/c2ccc(OCc1cccc(F)c1)cc2)C | | InChi: | InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/b20-10+/t12-/m0/s1 | | Synonyms: | SAFINAMIDE | | Definition date: | 2007-07-12 | | Last modified: | 2020-06-17 | | Identifier: | (E)-N~2~-({4-[(3-fluorobenzyl)oxy]phenyl}methylidene)-L-alaninamide |
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 | | T3P | | Name: | THYMIDINE-3'-PHOSPHATE | | Formula: | C10 H15 N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO | | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 | | Synonyms: | ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE | | Definition date: | 1999-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 3'-thymidylic acid |
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 | | YCU | | Name: | 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA | | Formula: | C17 H23 N5 O6 S2 | | SMILES: | CNC(=O)Nc1cc(OC)cc(NC(=O)N[S](=O)(=O)c2sc(CCOC)c(C)c2)n1 | | InChi: | InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24) | | Synonyms: | RO5207315 | | Definition date: | 2011-01-14 | | Last modified: | 2020-06-17 | | Identifier: | 1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea |
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