 | | 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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 | | BF9 | | Name: | [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C22 H21 N3 O5 | | SMILES: | c1ccccc1C(c3ccc(C=C2C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O | | InChi: | InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2018-12-19 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-30 | | Identifier: | [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | BFB | | Name: | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | | Formula: | C14 H20 N4 O2 | | SMILES: | O=C(NC(C(=O)N)CCCNC(=[N@H])C)c1ccccc1 | | InChi: | InChI=1S/C14H20N4O2/c1-10(15)17-9-5-8-12(13(16)19)18-14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H2,15,17)(H2,16,19)(H,18,20)/t12-/m0/s1 | | Synonyms: | (S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE | | Definition date: | 2006-08-09 | | Last modified: | 2024-09-27 | | Identifier: | N-{(1S)-1-carbamoyl-4-[(1Z)-ethanimidoylamino]butyl}benzamide |
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 | | BFD | | Name: | ASPARTATE BERYLLIUM TRIFLUORIDE | | Formula: | C4 H6 Be F3 N O4 | | SMILES: | O=C(O[Be-2](F)(F)F)CC(N)C(=O)O | | InChi: | InChI=1S/C4H7NO4.Be.3FH/c5-2(4(8)9)1-3(6)7 | | Definition date: | 2000-09-26 | | Last modified: | 2024-09-27 | | Identifier: | (L-aspartato-kappaO~4~)(trifluoro)beryllate(2-) |
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 | | BFE | | Name: | N-(2-sulfanylethyl)benzamide | | Formula: | C9 H11 N O S | | SMILES: | O=C(NCCS)c1ccccc1 | | InChi: | InChI=1S/C9H11NOS/c11-9(10-6-7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11) | | Definition date: | 2010-03-11 | | Last modified: | 2024-09-27 | | Identifier: | N-(2-sulfanylethyl)benzamide |
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 | | BFG | | Name: | 3,3-diphenyl-N-(2-sulfanylethyl)propanamide | | Formula: | C17 H19 N O S | | SMILES: | O=C(NCCS)CC(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19) | | Definition date: | 2010-03-15 | | Last modified: | 2024-09-27 | | Identifier: | 3,3-diphenyl-N-(2-sulfanylethyl)propanamide |
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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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 | | BFO | | Name: | benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate | | Formula: | C35 H43 N3 O8 | | SMILES: | O=CC(C(C)CC)C(O)C(=O)NCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc3cc2ccccc2cc3)C | | InChi: | InChI=1S/C35H43N3O8/c1-4-23(2)29(20-39)31(40)33(42)36-18-10-15-30(34(43)45-21-25-11-6-5-7-12-25)38-32(41)24(3)37-35(44)46-22-26-16-17-27-13-8-9-14-28(27)19-26/h5-9,11-14,16-17,19-20,23-24,29-31,40H,4,10,15,18,21-22H2,1-3H3,(H,36,42)(H,37,44)(H,38,41)/t23-,24-,29-,30-,31+/m0/s1 | | Definition date: | 2011-08-24 | | Last modified: | 2024-09-27 | | Identifier: | benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate |
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 | | PDD | | Name: | N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1 | | Definition date: | 2002-03-18 | | Last modified: | 2024-09-27 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alanine |
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 | | PDF | | Name: | 4,4-difluoro-L-proline | | Formula: | C5 H7 F2 N O2 | | SMILES: | O=C(O)C1NCC(F)(F)C1 | | InChi: | InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1 | | Definition date: | 2008-10-07 | | Last modified: | 2024-09-27 | | Release date: | 2015-06-17 | | Identifier: | 4,4-difluoro-L-proline |
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 | | PDM | | Name: | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | | Formula: | C14 H16 N2 O5 | | SMILES: | O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1 | | Synonyms: | PARA-PHENYL DIMALEMIDE | | Definition date: | 2002-02-06 | | Last modified: | 2024-09-27 | | Identifier: | (4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid |
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 | | PDO | | Name: | 1,3-PROPANDIOL | | Formula: | C3 H8 O2 | | SMILES: | OCCCO | | InChi: | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | propane-1,3-diol |
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 | | BG1 | | Name: | O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-L-serine | | Formula: | C10 H21 N3 O6 S | | SMILES: | O=S(=O)(NC)N(C(C(=O)OCC(C(=O)O)N)CCC)C | | InChi: | InChI=1S/C10H21N3O6S/c1-4-5-8(13(3)20(17,18)12-2)10(16)19-6-7(11)9(14)15/h7-8,12H,4-6,11H2,1-3H3,(H,14,15)/t7-,8-/m0/s1 | | Definition date: | 2007-11-08 | | Last modified: | 2024-09-27 | | Identifier: | O-{(2S)-2-[methyl(methylsulfamoyl)amino]pentanoyl}-L-serine |
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 | | PDP | | Name: | PYRIDOXAL-5'-DIPHOSPHATE | | Formula: | C8 H11 N O9 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C | | InChi: | InChI=1S/C8H11NO9P2/c1-5-8(11)7(3-10)6(2-9-5)4-17-20(15,16)18-19(12,13)14/h2-3,11H,4H2,1H3,(H,15,16)(H2,12,13,14) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl trihydrogen diphosphate |
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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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 | | PDW | | Name: | methyl D-prolinate | | Formula: | C6 H11 N O2 | | SMILES: | O=C(OC)C1NCCC1 | | InChi: | InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1 | | Definition date: | 2011-11-30 | | Last modified: | 2024-09-27 | | Release date: | 2012-11-16 | | Identifier: | methyl D-prolinate |
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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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 | | PEA | | Name: | 2-PHENYLETHYLAMINE | | Formula: | C8 H12 N | | SMILES: | c1ccccc1CC[NH3+] | | InChi: | InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-phenylethanaminium |
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 | | PEB | | Name: | PHYCOERYTHROBILIN | | Formula: | C33 H40 N4 O6 | | SMILES: | CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O | | 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/h8,14-15,19-20,26,34H,2,7,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,29-15-/t19-,20-,26-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | PEC | | Name: | S,S-PENTYLTHIOCYSTEINE | | Formula: | C8 H17 N O2 S2 | | SMILES: | O=C(O)C(N)CSSCCCCC | | InChi: | InChI=1S/C8H17NO2S2/c1-2-3-4-5-12-13-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(pentyldisulfanyl)-L-alanine |
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 | | PED | | Name: | PENTANE-3,4-DIOL-5-PHOSPHATE | | Formula: | C5 H13 O6 P | | SMILES: | O=P(O)(O)OCC(O)C(O)CC | | InChi: | InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1 | | Synonyms: | OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE | | Definition date: | 2001-01-11 | | Last modified: | 2024-09-27 | | Identifier: | 1,2-dideoxy-5-O-phosphono-D-erythro-pentitol |
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 | | PEE | | Name: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine | | Formula: | C41 H78 N O8 P | | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCCCC | | InChi: | InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1 | | Synonyms: | DOPE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate |
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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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