 | | 21V | | Name: | N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid | | Formula: | C21 H25 N5 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)CCC3CC=2C(=O)N=C(NC=2NC3)N)CCC(=O)O | | InChi: | InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1 | | Synonyms: | 5,10-dideazatetrahydrofolic acid | | Definition date: | 2013-08-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-09-25 | | Identifier: | N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid |
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 | | KX7 | | Name: | Icilin | | Formula: | C16 H13 N3 O4 | | SMILES: | C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O | | InChi: | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) | | Synonyms: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one | | Definition date: | 2019-01-23 | | Last modified: | 2021-03-13 | | Release date: | 2019-02-20 | | Identifier: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one |
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 | | EFD | | Name: | avacopan | | Formula: | C33 H35 F4 N3 O2 | | SMILES: | C1N(C(C(CC1)C(Nc2ccc(c(c2)C(F)(F)F)C)=O)c3ccc(cc3)NC4CCCC4)C(c5c(cccc5F)C)=O | | InChi: | InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1 | | Synonyms: | (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzene-1-carbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide | | Definition date: | 2018-01-08 | | Last modified: | 2021-03-13 | | Release date: | 2018-05-30 | | Identifier: | (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzene-1-carbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide |
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 | | EFO | | Name: | Oligomycin A | | Formula: | C45 H74 O11 | | SMILES: | O=C2C(O)(C)C(O)C(C)CC=CC=CC(CC)CCC3OC1(OC(C(CC1)C)CC(O)C)C(C)C(OC(=O)C=CC(C)C(O)C(C(=O)C(C)C(O)C2C)C)C3C | | InChi: | InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m0/s1 | | Synonyms: | (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione | | Definition date: | 2012-05-23 | | Last modified: | 2021-03-13 | | Identifier: | (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione |
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 | | 24G | | Name: | uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-glucosamine | | Formula: | C29 H51 N3 O18 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C3N)CO)O)O | | InChi: | InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1 | | Synonyms: | (2R,3R,4R,5S,6R)-3-amino-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate | | Definition date: | 2013-08-28 | | Last modified: | 2021-03-13 | | Release date: | 2013-10-16 | | Identifier: | (2R,3R,4R,5S,6R)-3-amino-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name) |
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 | | EHF | | Name: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid | | Formula: | C20 H18 N2 O5 | | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1ccccc1cc2CN3C(=O)C=4CO)CC | | InChi: | InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1 | | Synonyms: | Camptothecin, open form | | Definition date: | 2013-07-03 | | Last modified: | 2021-03-13 | | Release date: | 2013-07-24 | | Identifier: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid |
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 | | L07 | | Name: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine | | Formula: | C13 H13 N3 S | | SMILES: | n2c1ccccc1c3sc(nc3c2N)CCC | | InChi: | InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15) | | Synonyms: | CL075 | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-03 | | Identifier: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine |
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 | | L17 | | Name: | L17 | | Formula: | C22 H20 Cl2 F2 N4 O3 | | SMILES: | Clc1cccc(c1)C(NC(=O)Cc3[n+]([O-])c(NCC(F)(F)c2[n+]([O-])cccc2)ccc3Cl)C | | InChi: | InChI=1S/C22H20Cl2F2N4O3/c1-14(15-5-4-6-16(23)11-15)28-21(31)12-18-17(24)8-9-20(30(18)33)27-13-22(25,26)19-7-2-3-10-29(19)32/h2-11,14,27H,12-13H2,1H3,(H,28,31)/t14-/m1/s1 | | Synonyms: | 2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE | | Definition date: | 2005-04-04 | | Last modified: | 2021-03-13 | | Identifier: | 2-(3-chloro-6-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-1-oxidopyridin-2-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide |
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 | | L1E | | Name: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | | Formula: | C26 H19 Cl N8 | | SMILES: | Clc1ccc(cc1)Nc2nccc3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C | | InChi: | InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33) | | Synonyms: | N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine | | Definition date: | 2009-08-03 | | Last modified: | 2021-03-13 | | Identifier: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine |
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 | | L1P | | Name: | 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL | | Formula: | C43 H89 O6 P | | SMILES: | O=P(O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | | InChi: | InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1 | | Synonyms: | 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE | | Definition date: | 1999-09-22 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate |
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 | | L2D | | Name: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron | | Formula: | C22 H26 Fe N4 O4 | | SMILES: | O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1)C3CCCCC3N7(Cc4ccccn45)C6 | | InChi: | InChI=1S/C22H28N4O4.Fe/c27-21(28)15-25(13-17-7-3-5-11-23-17)19-9-1-2-10-20(19)26(16-22(29)30)14-18-8-4-6-12-24-18 | | Synonyms: | Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine | | Definition date: | 2012-02-16 | | Last modified: | 2021-03-13 | | Identifier: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron (non-preferred name) |
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 | | L2P | | Name: | 2,3-DI-PHYTANYL-GLYCEROL | | Formula: | C43 H88 O3 | | SMILES: | OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | | InChi: | InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1 | | Synonyms: | 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL | | Definition date: | 1999-09-22 | | Last modified: | 2021-03-13 | | Identifier: | (2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol |
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 | | EL7 | | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name) | | Formula: | C43 H76 N2 O10 | | SMILES: | OC2C(C(OC(OCC(NC(CCCCCCCCCCCCCCCC)=O)C(O)C(O)CCCC(NCCCCCCc1ccccc1)=O)C2O)CO)O | | InChi: | InChI=1S/C43H76N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-38(49)45-34(32-54-43-42(53)41(52)40(51)36(31-46)55-43)39(50)35(47)27-23-29-37(48)44-30-22-16-15-18-24-33-25-19-17-20-26-33/h17,19-20,25-26,34-36,39-43,46-47,50-53H,2-16,18,21-24,27-32H2,1H3,(H,44,48)(H,45,49)/t34-,35+,36+,39-,40-,41-,42+,43-/m0/s1 | | Synonyms: | aGSA[16,6P] | | Definition date: | 2018-01-19 | | Last modified: | 2021-03-13 | | Release date: | 2019-01-30 | | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name) |
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 | | ELV | | Name: | 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C23 H23 Cl F N O5 | | SMILES: | COc1cc2N(C=C(C(O)=O)C(=O)c2cc1Cc3cccc(Cl)c3F)[CH](CO)C(C)C | | InChi: | InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1 | | Synonyms: | Elvitegravir | | Definition date: | 2010-01-04 | | Last modified: | 2021-03-13 | | Identifier: | 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(2S)-1-hydroxy-3-methyl-butan-2-yl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid |
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 | | L4D | | Name: | {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) | | Formula: | C17 H21 Fe N4 O2 | | SMILES: | O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2ccccn23)C)C5 | | InChi: | InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16 | | Synonyms: | {N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+) | | Definition date: | 2012-12-13 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-17 | | Identifier: | {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) |
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 | | EM4 | | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide | | Formula: | C52 H94 N2 O10 | | SMILES: | C(C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(CO)C(O)C(O)C2O)=O)CCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C52H94N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-37-47(58)54-43(41-63-52-51(62)50(61)49(60)45(40-55)64-52)48(59)44(56)36-32-38-46(57)53-39-31-25-24-27-33-42-34-28-26-29-35-42/h26,28-29,34-35,43-45,48-52,55-56,59-62H,2-25,27,30-33,36-41H2,1H3,(H,53,57)(H,54,58)/t43-,44+,45+,48-,49-,50-,51+,52-/m0/s1 | | Synonyms: | aGSA[26,6P] | | Definition date: | 2018-01-19 | | Last modified: | 2021-03-13 | | Release date: | 2019-01-30 | | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (non-preferred name) |
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 | | EMG | | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]icosanamide | | Formula: | C46 H82 N2 O10 | | SMILES: | O=C(CCCCCCCCCCCCCCCCCCC)NC(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)NCCCCCCc2ccccc2 | | InChi: | InChI=1S/C46H82N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-31-41(52)48-37(35-57-46-45(56)44(55)43(54)39(34-49)58-46)42(53)38(50)30-26-32-40(51)47-33-25-19-18-21-27-36-28-22-20-23-29-36/h20,22-23,28-29,37-39,42-46,49-50,53-56H,2-19,21,24-27,30-35H2,1H3,(H,47,51)(H,48,52)/t37-,38+,39+,42-,43-,44-,45+,46-/m0/s1 | | Synonyms: | aGSA[20,6P] | | Definition date: | 2018-01-19 | | Last modified: | 2021-03-13 | | Release date: | 2019-01-30 | | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]icosanamide (non-preferred name) |
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 | | EMM | | Name: | [METHYL(VINYL)AMINO]METHANOL | | Formula: | C4 H7 N O2 | | SMILES: | O=C(O)N(C=C)C | | InChi: | InChI=1S/C4H7NO2/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7) | | Synonyms: | N,N-ETHYLMETHYLCARBAMATE | | Definition date: | 2001-12-04 | | Last modified: | 2021-03-13 | | Identifier: | ethenyl(methyl)carbamic acid |
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 | | 27J | | Name: | alpha-zearalanol | | Formula: | C18 H26 O5 | | SMILES: | O=C1OC(CCCC(O)CCCCCc2cc(O)cc(O)c12)C | | InChi: | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1 | | Synonyms: | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one | | Definition date: | 2013-09-05 | | Last modified: | 2021-03-13 | | Release date: | 2014-09-03 | | Identifier: | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one |
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 | | HVV | | Name: | (4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one | | Formula: | C12 H19 N O3 | | SMILES: | CC=CCC=[C@H]CCC1(NC(=O)CC1O)O | | InChi: | InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)10(14)9-11(15)13-12/h2-3,5-6,10,14,16H,4,7-9H2,1H3,(H,13,15)/b3-2+,6-5+/t10-,12+/m0/s1 | | Synonyms: | cerulenin, bound form | | Definition date: | 2018-07-26 | | Last modified: | 2021-03-13 | | Release date: | 2019-07-31 | | Identifier: | (4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one |
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 | | EOB | | Name: | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) | | Formula: | C10 H14 N2 O8 P2 | | SMILES: | O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O | | InChi: | InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20) | | Synonyms: | 2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID | | Definition date: | 2006-02-17 | | Last modified: | 2021-03-13 | | Identifier: | {benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) |
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 | | 28Y | | Name: | 3H-imidazo[2,1-b]purin-4(5H)-one | | Formula: | C7 H5 N5 O | | SMILES: | O=C3c1c(ncn1)n2c(ncc2)N3 | | InChi: | InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13) | | Synonyms: | N2,3-ethenoguanine | | Definition date: | 2013-09-11 | | Last modified: | 2021-03-13 | | Release date: | 2014-10-15 | | Identifier: | 3H-imidazo[2,1-b]purin-4(5H)-one |
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 | | HWS | | Name: | COPROGEN | | Formula: | C35 H53 Fe N6 O13 | | SMILES: | C6(C1NC(=O)C(CCCN3O[Fe]245(ON(CCC1)C(C=C(/C)CCO)=O2)O=C(N(CCCC(C(OCCC(=CC3=O4)C)=O)NC(C)=O)O5)[C@H]=C(CCO)C)N6)=O | | InChi: | InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43 | | Synonyms: | {5-[(hydroxy-kappaO){3-[5-(3-{(hydroxy-kappaO)[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}amino]-3-methyl-5-(oxo-kappaO)pent-3-en-1-yl N~2~-acetyl-N~5~-hydroxy-kappaO-N~5~-[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]-L-ornithinatato(3-)}iron | | Definition date: | 2018-07-27 | | Last modified: | 2021-03-13 | | Release date: | 2019-04-10 | | Identifier: | {5-[(hydroxy-kappaO){3-[5-(3-{(hydroxy-kappaO)[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}amino]-3-methyl-5-(oxo-kappaO)pent-3-en-1-yl N~2~-acetyl-N~5~-hydroxy-kappaO-N~5~-[5-hydroxy-3-methyl-1-(oxo-kappaO)pent-2-en-1-yl]-L-ornithinatato(3-)}iron |
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 | | EP9 | | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide | | Formula: | C30 H41 N3 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(Cc2ccc(O)cc2)C(O)C=O)CC(C)C)CC(C)C | | InChi: | InChI=1S/C30H41N3O7/c1-19(2)14-25(28(37)31-24(27(36)17-34)16-21-10-12-23(35)13-11-21)32-29(38)26(15-20(3)4)33-30(39)40-18-22-8-6-5-7-9-22/h5-13,17,19-20,24-27,35-36H,14-16,18H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-,27+/m0/s1 | | Synonyms: | Z-Leu-Leu-TyrCOCHO, hemiketal form | | Definition date: | 2011-04-19 | | Last modified: | 2021-03-13 | | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide |
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 | | HXG | | Name: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | | Formula: | C20 H41 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC | | InChi: | InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1 | | Synonyms: | (4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-13 | | Release date: | 2015-03-04 | | Identifier: | (4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide |
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