 | | 71I | | Name: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d]
[1,3]thiazole-6,7-diol | | Formula: | C11 H20 N2 O4 S | | SMILES: | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | | InChi: | InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1 | | Synonyms: | Butylaminothiazoline | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | (3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
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 | | D3A | | Name: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic
acid | | Formula: | C29 H31 Cl N2 O6 | | SMILES: | O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5 | | InChi: | InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1 | | Synonyms: | 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet
ic acid | | Definition date: | 2012-01-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid |
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 | | D5T | | Name: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi
din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | | Formula: | C30 H38 N4 O6 | | SMILES: | COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25 | | InChi: | InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1 | | Synonyms: | NPD-226 | | Definition date: | 2017-12-25 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-10 | | Identifier: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione |
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 | | ESL | | Name: | ESTRIOL | | Formula: | C18 H24 O3 | | SMILES: | Oc1cc4c(cc1)C3CCC2(C(CC(O)C2O)C3CC4)C | | InChi: | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 | | Synonyms: | 1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL | | Definition date: | 2004-08-30 | | Last modified: | 2020-06-17 | | Identifier: | (9beta,13alpha,16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol |
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 | | ESM | | Name: | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER | | Formula: | C19 H26 O3 | | SMILES: | Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C | | InChi: | InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL | | Definition date: | 2002-04-25 | | Last modified: | 2020-06-17 | | Identifier: | (14beta,17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol |
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 | | ESR | | Name: | 5-ALPHA-ESTRAN-3,17-DIONE | | Formula: | C18 H26 O2 | | SMILES: | O=C4CC3CCC2C1CCC(=O)C1(C)CCC2C3CC4 | | InChi: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1 | | Synonyms: | (13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE | | Definition date: | 2003-05-29 | | Last modified: | 2020-06-17 | | Identifier: | (5beta,9beta,10alpha,13alpha,14beta)-estrane-3,17-dione |
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 | | 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) |
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 | | GW6 | | Name: | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan
drosta-1,4-dien-17-yl furan-2-carboxylate | | Formula: | C27 H29 F3 O6 S | | SMILES: | O=C(SCF)C5(OC(=O)c1occc1)C4(C)CC(O)C3(F)C2(C=CC(=O)C=C2C(F)CC3C4CC5C)C | | InChi: | InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1 | | Synonyms: | Fluticasone furoate | | Definition date: | 2008-03-21 | | Last modified: | 2020-06-17 | | Identifier: | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate |
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 | | 3AM | | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3O)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | 3'-AMP | | Definition date: | 2008-01-23 | | Last modified: | 2020-06-17 | | Identifier: | 3'-adenylic acid |
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 | | H02 | | Name: | N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID | | Formula: | C35 H42 N4 O4 | | SMILES: | O=C(O)CCC5=C(C=2NC5=Cc1c(c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N4C)C)CC)C)CCC(=O)O)C | | InChi: | InChI=1S/C35H42N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,36-38H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16- | | Synonyms: | 3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID | | Definition date: | 2007-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-(7,12-diethyl-3,8,13,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid |
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 | | 3DH | | Name: | 5'-S-ethyl-5'-thioadenosine | | Formula: | C12 H17 N5 O3 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCC)N | | InChi: | InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | | Synonyms: | S-adenosylethane | | Definition date: | 2008-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 5'-S-ethyl-5'-thioadenosine |
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 | | H4C | | Name: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | | Formula: | C17 H16 Cl N4 S | | SMILES: | Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C | | InChi: | InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1 | | Synonyms: | 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene | | Definition date: | 2013-09-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium |
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 | | 3HC | | Name: | 3-HYDROXYBUTANOYL-COENZYME A | | Formula: | C25 H42 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)C | | InChi: | InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1 | | Synonyms: | 3-HYDROXYBUTYRYL-COENZYME A | | Definition date: | 2000-05-31 | | Last modified: | 2020-06-17 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name) |
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 | | NAZ | | Name: | N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET
A-ALANINAMIDE | | Formula: | C24 H25 N7 O3 | | SMILES: | O=C(Nc1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC(=O)N3)cc4 | | InChi: | InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34) | | Synonyms: | NAPHTYRIDINE-AZAQUINOLONE | | Definition date: | 2005-04-25 | | Last modified: | 2020-06-17 | | Identifier: | 3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name) |
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 | | 6A5 | | Name: | Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone | | Formula: | C19 H19 Cl2 N5 O2 | | SMILES: | O=C(c2nc3nc(c(c(c1ccc(Cl)cc1Cl)n3c2)CN)C)N4CCOCC4 | | InChi: | InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3 | | Synonyms: | 1-[5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine | | Definition date: | 2010-06-28 | | Last modified: | 2020-06-17 | | Identifier: | [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl](morpholin-4-yl)methanone |
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 | | 6AZ | | Name: | 6-azidouridine 5'-(dihydrogen phosphate) | | Formula: | C9 H12 N5 O9 P | | SMILES: | [N-]=[N+]=NC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1 | | Synonyms: | 6-AZIDO-UMP | | Definition date: | 2009-02-16 | | Last modified: | 2020-06-17 | | Identifier: | 6-azidouridine 5'-(dihydrogen phosphate) |
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 | | P01 | | Name: | 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL | | Formula: | C19 H25 Cl N6 O | | SMILES: | Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO | | InChi: | InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | | Synonyms: | PURVALANOL A | | Definition date: | 2005-02-07 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol |
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 | | 6CU | | Name: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole | | Formula: | C21 H26 N2 | | SMILES: | CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C | | InChi: | InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1 | | Synonyms: | 12-epi-fischerindole U | | Definition date: | 2016-03-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-29 | | Identifier: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole |
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 | | LIV | | Name: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R
,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET
HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL | | Formula: | C29 H55 N5 O18 | | SMILES: | O(C2C(OC1OC(CO)C(O)CC1N)C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4N)C5O)CO | | InChi: | InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1 | | Synonyms: | LIVIDOMYCIN A | | Definition date: | 2005-11-16 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-{[alpha-D-mannopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-beta-D-ribofuranosyl]oxy}cyclohexyl 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranoside |
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 | | 7D3 | | Name: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate | | Formula: | C10 H15 N5 O9 P2 | | SMILES: | c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(OP(O)(=O)O)(O)=O)CO)N | | InChi: | InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1 | | Synonyms: | oxetanocin A diphosphate | | Definition date: | 2016-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-23 | | Identifier: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate |
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 | | 7DF | | Name: | Dihydropentalenolactone F | | Formula: | C15 H20 O5 | | SMILES: | C1C4C3(CC1(C)C)C2(OC2)C(=O)OCC3C(C(O)=O)C4 | | InChi: | InChI=1S/C15H20O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+,14-,15-/m1/s1 | | Synonyms: | (2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic
acid | | Definition date: | 2016-08-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | (2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
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 | | LPP | | Name: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE | | Formula: | C35 H69 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1 | | Synonyms: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE | | Definition date: | 2000-12-14 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate |
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 | | LSM | | Name: | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside | | Formula: | C24 H46 O10 Se | | SMILES: | O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1 | | Synonyms: | DODECYL-BETA-D-SELENOMALTOSIDE | | Definition date: | 2011-08-09 | | Last modified: | 2020-06-17 | | Identifier: | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside |
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 | | 5BT | | Name: | 5-bromo-2'-deoxycytidine | | Formula: | C9 H12 Br N3 O4 | | SMILES: | BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)CO)N | | InChi: | InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1 | | Synonyms: | 5-bromo-2'-doxy-D-cytidine | | Definition date: | 2011-01-25 | | Last modified: | 2020-06-17 | | Identifier: | 5-bromo-2'-deoxycytidine |
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 | | LZZ | | Name: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one | | Formula: | C21 H32 O3 | | SMILES: | O=C(C4(O)C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 | | Synonyms: | 17-Hydroxypregnenolone | | Definition date: | 2013-11-15 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-22 | | Identifier: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one |
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