 | | MH6 | | Name: | 3-hydroxy-2-iminopropanoic acid | | Formula: | C3 H5 N O3 | | SMILES: | O=C(O)C(=[N@H])CO | | InChi: | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+ | | Definition date: | 2008-03-11 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-3-hydroxy-2-iminopropanoic acid |
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 | | MH8 | | Name: | (2S)-2-amino-2-methylhept-6-enoic acid | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)C(N)(CCC/C=C)C | | InChi: | InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1 | | Definition date: | 2015-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-09 | | Identifier: | (2S)-2-amino-2-methylhept-6-enoic acid |
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 | | MH9 | | Name: | (2E,4E)-DODECA-2,4-DIENOIC ACID | | Formula: | C12 H20 O2 | | SMILES: | O=C(O)C=CC=CCCCCCCC | | InChi: | InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+ | | Definition date: | 2011-03-28 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | (2E,4E)-dodeca-2,4-dienoic acid |
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 | | MHC | | Name: | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE | | Formula: | C14 H16 N2 O S | | SMILES: | O=C(N3CCc2c1ccccc1nc2C3)CCS | | InChi: | InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2 | | Definition date: | 2002-12-06 | | Last modified: | 2024-09-27 | | Identifier: | 3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol |
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 | | MHE | | Name: | 5,5-dimethyl-2-oxohexanoic acid | | Formula: | C8 H14 O3 | | SMILES: | O=C(C(=O)O)CCC(C)(C)C | | InChi: | InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)7(10)11/h4-5H2,1-3H3,(H,10,11) | | Definition date: | 2008-06-02 | | Last modified: | 2024-09-27 | | Identifier: | 5,5-dimethyl-2-oxohexanoic acid |
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 | | MHL | | Name: | N-METHYL-4-HYDROXY-LEUCINE | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(NC)CC(O)(C)C | | InChi: | InChI=1S/C7H15NO3/c1-7(2,11)4-5(8-3)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-hydroxy-N-methyl-L-leucine |
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 | | MHO | | Name: | S-OXYMETHIONINE | | Formula: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CCS(=O)C | | InChi: | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid |
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 | | MHS | | Name: | N1-METHYLATED HISTIDINE | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1cncn1C | | InChi: | InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-methyl-L-histidine |
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 | | MHT | | Name: | (3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane | | Formula: | C8 H15 N S | | SMILES: | S(C2C1CCN(CC1)C2)C | | InChi: | InChI=1S/C8H15NS/c1-10-8-6-9-4-2-7(8)3-5-9/h7-8H,2-6H2,1H3/t8-/m1/s1 | | Definition date: | 2010-07-15 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane |
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 | | MHU | | Name: | 4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE | | Formula: | C12 H18 N2 O2 | | SMILES: | O=C(O)C(NC)Cc1ccc(N(C)C)cc1 | | InChi: | InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1 | | Definition date: | 2010-07-15 | | Last modified: | 2024-09-27 | | Identifier: | 4-(dimethylamino)-N-methyl-L-phenylalanine |
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 | | MHV | | Name: | 4-OXO-L-PIPECOLIC ACID | | Formula: | C6 H9 N O3 | | SMILES: | O=C(O)C1NCCC(=O)C1 | | InChi: | InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1 | | Definition date: | 2010-07-15 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-4-oxopiperidine-2-carboxylic acid |
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 | | MHW | | Name: | 3-HYDROXYPICOLINIC ACID | | Formula: | C6 H5 N O3 | | SMILES: | O=C(O)c1ncccc1O | | InChi: | InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10) | | Definition date: | 2010-07-15 | | Last modified: | 2024-09-27 | | Identifier: | 3-hydroxypyridine-2-carboxylic acid |
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 | | MHY | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C15 H15 F2 N3 O5 | | SMILES: | NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C | | InChi: | InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1 | | Definition date: | 2019-04-02 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-08 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | MHZ | | Name: | 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE | | Formula: | C14 H24 N8 O3 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N | | InChi: | InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2001-03-13 | | Last modified: | 2024-09-27 | | Identifier: | 5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine |
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 | | BL2 | | Name: | N-(tert-butoxycarbonyl)-L-leucine | | Formula: | C11 H21 N O4 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C | | InChi: | InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1 | | Definition date: | 2012-05-31 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-22 | | Identifier: | N-(tert-butoxycarbonyl)-L-leucine |
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 | | BL8 | | Name: | 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | | Formula: | C33 H36 N4 O6 | | SMILES: | C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O | | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20-/m1/s1 | | Definition date: | 2015-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2015-12-09 | | Identifier: | 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | BLA | | Name: | BILIVERDINE IX ALPHA | | Formula: | C33 H34 N4 O6 | | SMILES: | Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C | | InChi: | InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15- | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-{2-((Z)-{3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
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 | | BLE | | Name: | LEUCINE BORONIC ACID | | Formula: | C5 H14 B N O2 | | SMILES: | OB(O)C(N)CC(C)C | | InChi: | InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(1R)-1-amino-3-methylbutyl]boronic acid |
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 | | BLN | | Name: | MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | | Formula: | C21 H30 N4 O4 | | SMILES: | O=C(NC(C(=O)NC(C#N)COCc1ccccc1)CC(C)C)N2CCOCC2 | | InChi: | InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1 | | Definition date: | 2002-10-04 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide |
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 | | BLR | | Name: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | | Formula: | C33 H36 N4 O6 | | SMILES: | CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14- | | Synonyms: | Bilirubin IX alpha | | Definition date: | 2015-01-26 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-04 | | Identifier: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | BMA | | Name: | beta-D-mannopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1 | | Synonyms: | beta-D-mannose | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | beta-D-mannopyranose |
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 | | BME | | Name: | BETA-MERCAPTOETHANOL | | Formula: | C2 H6 O S | | SMILES: | OCCS | | InChi: | InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-sulfanylethanol |
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 | | BMG | | Name: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth
yl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Formula: | C15 H20 N4 O4 S | | SMILES: | O=CC(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1C2)C3C | | InChi: | InChI=1S/C15H20N4O4S/c1-8-12(11(5-20)9(2)21)17-13(15(22)23)14(8)24-10-3-18-6-16-7-19(18)4-10/h5-12,17,21H,3-4H2,1-2H3/t8-,9-,11-,12-/m1/s1 | | Synonyms: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-
methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Definition date: | 2007-11-05 | | Last modified: | 2024-09-27 | | Identifier: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate |
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 | | BMT | | Name: | 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE | | Formula: | C10 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(C/C=C/C)C | | InChi: | InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
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 | | BN6 | | Name: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID | | Formula: | C35 H52 N6 O9 | | SMILES: | O=C(NC(C(O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C)C)C3CCCCC3)CC4CC4 | | InChi: | InChI=1S/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1 | | Definition date: | 2007-01-02 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-({N-[(2R,3S,9S)-9-cyclohexyl-3,6-bis(cyclopropylmethyl)-2-hydroxy-14-methyl-5,8,11-trioxo-12-oxa-4,6,7,10-tetraazapentadecan-1-oyl]glycyl}amino)(phenyl)ethanoic acid |
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