| CLB | Name: | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | Formula: | C13 H19 B Cl N2 O6 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N | InChi: | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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| CLD | Name: | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | Formula: | C13 H19 B Cl N2 O6 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N | InChi: | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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| BF7 | Name: | 4-bromo-D-phenylalanine | Formula: | C9 H10 Br N O2 | SMILES: | NC(Cc1ccc(cc1)Br)C(=O)O | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | Definition date: | 2019-07-18 | Last modified: | 2024-09-27 | Release date: | 2020-07-01 | Identifier: | 4-bromo-D-phenylalanine |
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| BFN | Name: | 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Formula: | C18 H23 F N2 O9 | SMILES: | O=C(c1ccccc1)NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=O)C | InChi: | InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1 | Synonyms: | 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Definition date: | 2007-11-07 | Last modified: | 2024-09-27 | Identifier: | 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
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| BG3 | Name: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID | Formula: | C6 H11 N O5 S | SMILES: | O=S(=O)(O)C1NC(C(=O)O)C(C)C1 | InChi: | InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1 | Definition date: | 2004-07-14 | Last modified: | 2024-09-27 | Identifier: | (3R,5S)-3-methyl-5-sulfo-D-proline |
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| BG4 | Name: | 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID | Formula: | C7 H14 N2 O3 | SMILES: | O=C(O)C1NC(N(O)C)CC1C | InChi: | InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1 | Definition date: | 2004-07-14 | Last modified: | 2024-09-27 | Identifier: | (3R,5R)-5-[hydroxy(methyl)amino]-3-methyl-D-proline |
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| BG5 | Name: | 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID | Formula: | C6 H12 N2 O3 | SMILES: | O=C(O)C1NC(NO)CC1C | InChi: | InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1 | Definition date: | 2004-07-14 | Last modified: | 2024-09-27 | Identifier: | (3R,5R)-5-(hydroxyamino)-3-methyl-D-proline |
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| BGC | Name: | beta-D-glucopyranose | 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-glucose | Definition date: | 2002-01-22 | Last modified: | 2024-09-27 | Identifier: | beta-D-glucopyranose |
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| CNE | Name: | (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID | Formula: | C31 H36 Cl F N2 O8 S | SMILES: | Clc1cccc(F)c1CSCC(=O)C(NC(=O)C(NC(=O)Cc2cc(C=CC(=O)OC)ccc2OCC)C(C)C)CC(=O)O | InChi: | InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1 | Definition date: | 2003-11-24 | Last modified: | 2024-09-27 | Identifier: | (3S)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetyl)-L-valyl]amino}-4-oxopentanoic acid |
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| BGS | Name: | (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol | Formula: | C8 H16 O7 S | SMILES: | O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC | InChi: | InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 | Synonyms: | BETA-D-GLUCOPYRANOSYLSULFONYLETHANE | Definition date: | 2005-10-26 | Last modified: | 2024-09-27 | Identifier: | (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol |
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| CQ6 | Name: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine | Formula: | C14 H22 N4 O3 S | SMILES: | CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 | InChi: | InChI=1S/C14H22N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h9,12H,2-8,10H2,1H3,(H,15,16,17) | Definition date: | 2015-04-13 | Last modified: | 2024-09-27 | Release date: | 2015-05-27 | Identifier: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine |
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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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| 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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| CUD | Name: | 3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine | Formula: | C7 H10 N4 O3 | SMILES: | O=C1N=C(C=CN1CC(C(=O)O)N)N | InChi: | InChI=1S/C7H10N4O3/c8-4(6(12)13)3-11-2-1-5(9)10-7(11)14/h1-2,4H,3,8H2,(H,12,13)(H2,9,10,14)/t4-/m1/s1 | Definition date: | 2008-02-12 | Last modified: | 2024-09-27 | Identifier: | 3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine |
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| BO8 | Name: | (D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID | Formula: | C9 H20 B N2 O6 | SMILES: | O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N | InChi: | InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1 | Definition date: | 2010-05-04 | Last modified: | 2024-09-27 | Identifier: | [(1S)-1-{[(6R)-6-amino-6-carboxyhexanoyl]amino}ethyl](trihydroxy)borate(1-) |
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| BO9 | Name: | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE | Formula: | C26 H41 B N4 O10 | SMILES: | O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1 | InChi: | InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1 | Synonyms: | BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA | Definition date: | 2005-04-18 | Last modified: | 2024-09-27 | Identifier: | N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide |
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| CUX | Name: | 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal | Formula: | C19 H19 Cl N4 O5 | SMILES: | O[CH]1[CH](O)[CH](O[CH]1[CH](O)c2ccc(Cl)cc2)n3ccc4c(NCC=O)ncnc34 | InChi: | InChI=1S/C19H19ClN4O5/c20-11-3-1-10(2-4-11)13(26)16-14(27)15(28)19(29-16)24-7-5-12-17(21-6-8-25)22-9-23-18(12)24/h1-5,7-9,13-16,19,26-28H,6H2,(H,21,22,23)/t13-,14+,15-,16-,19-/m1/s1 | Definition date: | 2019-05-16 | Last modified: | 2024-09-27 | Release date: | 2019-06-19 | Identifier: | 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal |
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| CYC | Name: | PHYCOCYANOBILIN | Formula: | C33 H40 N4 O6 | SMILES: | CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H40N4O6/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/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one |
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| CZ9 | Name: | N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide | Formula: | C17 H23 B N4 O7 | SMILES: | O=C(NCB(O)O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)Cc2ccc(O)cc2 | InChi: | InChI=1S/C17H23BN4O7/c1-2-21-7-8-22(16(26)15(21)25)17(27)20-13(14(24)19-10-18(28)29)9-11-3-5-12(23)6-4-11/h3-6,13,23,28-29H,2,7-10H2,1H3,(H,19,24)(H,20,27)/t13-/m1/s1 | Definition date: | 2010-07-30 | Last modified: | 2024-09-27 | Identifier: | N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide |
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| D0C | Name: | 4-chloro-D-phenylalanine | Formula: | C9 H10 Cl N O2 | SMILES: | NC(Cc1ccc(cc1)Cl)C(=O)O | InChi: | InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | Definition date: | 2020-10-29 | Last modified: | 2024-09-27 | Release date: | 2021-11-17 | Identifier: | 4-chloro-D-phenylalanine |
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| D11 | Name: | D-PHOSPHOTHREONINE | Formula: | C4 H10 N O6 P | SMILES: | O=P(O)(O)OC(C(N)C(=O)O)C | InChi: | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1 | Synonyms: | O-PHOSPHONO-D-THREONINE | Definition date: | 2006-11-15 | Last modified: | 2024-09-27 | Identifier: | O-phosphono-D-threonine |
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| DAL | Name: | D-ALANINE | Formula: | C3 H7 N O2 | SMILES: | O=C(O)C(N)C | InChi: | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | D-alanine |
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| DB5 | Name: | [(4~{S})-4,5,6,7,8,9-hexahydro-1~{H}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate | Formula: | C9 H13 N3 O3 | SMILES: | OC(=O)O[CH]1CCCCCc2[nH]nnc12 | InChi: | InChI=1S/C9H13N3O3/c13-9(14)15-7-5-3-1-2-4-6-8(7)11-12-10-6/h7H,1-5H2,(H,13,14)(H,10,11,12)/t7-/m0/s1 | Definition date: | 2018-01-11 | Last modified: | 2024-09-27 | Release date: | 2018-09-12 | Identifier: | [(4~{S})-4,5,6,7,8,9-hexahydro-1~{H}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate |
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| DBB | Name: | D-ALPHA-AMINOBUTYRIC ACID | Formula: | C4 H9 N O2 | SMILES: | O=C(O)C(N)CC | InChi: | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | Definition date: | 2008-10-17 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-aminobutanoic acid |
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| DCB | Name: | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE | Formula: | C18 H23 F N2 O14 | SMILES: | [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2F)CO)c([N+]([O-])=O)c3 | InChi: | InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1 | Synonyms: | 2',4'-DINITROPHENYL-2DEOXY-2-FLURO-B-D-CELLOBIOSIDE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
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