 | | BB8 | | 表記: | (2S,3S)-BETA-HYDROXY-PHENYLALANINE | | 組成式: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)C(O)c1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1 | | 別名: | BETA-HYDROXY-PHENYLALANINE | | 定義日: | 2009-01-15 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (betaS)-beta-hydroxy-L-phenylalanine |
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 | | BB9 | | 表記: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid | | 組成式: | C3 H5 N O2 S | | SMILES: | O=C(O)/C(N)=C/S | | InChi: | InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1- | | 定義日: | 2009-01-15 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid |
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 | | BBC | | 表記: | 3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL | | 組成式: | C7 H16 N2 O2 S | | SMILES: | O=S(CC(=[N@H])CO)CCCCN | | InChi: | InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1 | | 定義日: | 2005-05-18 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol |
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 | | BBL | | 表記: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | 組成式: | C11 H13 N O4 | | SMILES: | O=C(O)C(NC(=O)OCc1ccccc1)C | | InChi: | InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1 | | 別名: | N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE | | 定義日: | 2005-07-07 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-[(benzyloxy)carbonyl]-L-alanine |
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 | | BBR | | 表記: | (3-bromo-2-oxo-propoxy)phosphonic acid | | 組成式: | C3 H6 Br O5 P | | SMILES: | O=P(O)(O)OCC(=O)CBr | | InChi: | InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8) | | 定義日: | 2007-10-25 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-bromo-2-oxopropyl dihydrogen phosphate |
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 | | BBS | | 表記: | 4-TERT-BUTYLBENZENESULFONIC ACID | | 組成式: | C10 H14 O3 S | | SMILES: | O=S(=O)(O)c1ccc(cc1)C(C)(C)C | | InChi: | InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13) | | 定義日: | 2000-03-31 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 4-tert-butylbenzenesulfonic acid |
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 | | BCQ | | 表記: | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE | | 組成式: | C31 H42 N4 O8 S2 | | SMILES: | O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4 | | InChi: | InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1 | | 定義日: | 2006-02-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide |
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 | | BCS | | 表記: | BENZYLCYSTEINE | | 組成式: | C10 H13 N O2 S | | SMILES: | O=C(O)C(N)CSCc1ccccc1 | | InChi: | InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | S-benzyl-L-cysteine |
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 | | BCT | | 表記: | BICARBONATE ION | | 組成式: | C H O3 | | SMILES: | [O-]C(=O)O | | InChi: | InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | hydrogen carbonate |
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 | | BCX | | 表記: | (3R)-3-amino-4-sulfanylbutanoic acid | | 組成式: | C4 H9 N O2 S | | SMILES: | O=C(O)CC(N)CS | | InChi: | InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 | | 定義日: | 2001-06-05 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3R)-3-amino-4-sulfanylbutanoic acid |
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 | | BD1 | | 表記: | 3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE | | 組成式: | C7 H10 O3 | | SMILES: | O1C2CC=CCC2OC1O | | InChi: | InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+ | | 定義日: | 2003-03-14 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol |
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 | | BD3 | | 表記: | Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide | | 組成式: | C23 H28 N8 O3 | | SMILES: | O=C(NCC=[N@H])C(NC(=O)c1cc(nn1C)C(C)(C)C)Cc3cc(c2nnc(o2)C=[N@H])ccc3 | | InChi: | InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-8,10,12-13,16,24-25H,9,11H2,1-4H3,(H,26,32)(H,27,33)/b24-8+,25-13-/t16-/m0/s1 | | 定義日: | 2009-06-19 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide |
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 | | BDB | | 表記: | 4,4'-BIPHENYLDIBORONIC ACID | | 組成式: | C12 H12 B2 O4 | | SMILES: | OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O | | InChi: | InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H | | 定義日: | 2001-11-20 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | biphenyl-4,4'-diyldiboronic acid |
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 | | BDF | | 表記: | beta-D-fructopyranose | | 組成式: | C6 H12 O6 | | SMILES: | OC1C(O)(OCC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 | | 別名: | beta-D-fructose | | 定義日: | 2002-11-01 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | beta-D-fructopyranose |
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 | | BDK | | 表記: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE | | 組成式: | C23 H30 F2 N6 O5 S | | SMILES: | O=C(NCCN1CCOCC1)C(F)(F)C(=O)C(NC(=O)CN2C(=NC=C(N)C2=O)c3sccc3)C(C)C | | InChi: | InChI=1S/C23H30F2N6O5S/c1-14(2)18(19(33)23(24,25)22(35)27-5-6-30-7-9-36-10-8-30)29-17(32)13-31-20(16-4-3-11-37-16)28-12-15(26)21(31)34/h3-4,11-12,14,18H,5-10,13,26H2,1-2H3,(H,27,35)(H,29,32)/t18-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (4S)-4-{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide |
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 | | BDP | | 表記: | beta-D-glucopyranuronic acid | | 組成式: | C6 H10 O7 | | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1 | | 別名: | beta-D-glucuronic acid | | 定義日: | 2001-11-26 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | beta-D-glucopyranuronic acid |
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 | | BE1 | | 表記: | N-BROMOACETYL-AMINOETHYL PHOSPHATE | | 組成式: | C4 H9 Br N O5 P | | SMILES: | O=P(O)(OCCN(Br)C(=O)C)O | | InChi: | InChI=1S/C4H9BrNO5P/c1-4(7)6(5)2-3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10) | | 定義日: | 2000-03-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-[acetyl(bromo)amino]ethyl dihydrogen phosphate |
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 | | BE2 | | 表記: | 2-AMINOBENZOIC ACID | | 組成式: | C7 H7 N O2 | | SMILES: | O=C(O)c1ccccc1N | | InChi: | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-aminobenzoic acid |
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 | | BE7 | | 表記: | (4-CARBOXYPHENYL)(CHLORO)MERCURY | | 組成式: | C7 H5 Cl Hg O2 | | SMILES: | O=C(O)c1ccc([Hg]Cl)cc1 | | InChi: | InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6 | | 別名: | P-CHLOROMERCURIBENZOIC ACID | | 定義日: | 2005-09-13 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (4-carboxyphenyl)(chloro)mercury |
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 | | BE8 | | 表記: | [(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid | | 組成式: | C29 H54 B N5 O7 S | | SMILES: | O=C(N3C(C(=O)NC(B(O)O)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C(C)(C)C)CN(C)S(=O)(=O)C)C(C)(C)C | | InChi: | InChI=1S/C29H54BN5O7S/c1-27(2,3)19(16-34(9)43(10,41)42)31-26(38)33-23(28(4,5)6)25(37)35-15-18-21(29(18,7)8)22(35)24(36)32-20(30(39)40)14-17-12-11-13-17/h17-23,39-40H,11-16H2,1-10H3,(H,32,36)(H2,31,33,38)/t18-,19+,20-,21-,22-,23+/m0/s1 | | 定義日: | 2008-11-03 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | [(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid |
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 | | BEF | | 表記: | BERYLLIUM TRIFLUORIDE ION | | 組成式: | Be F3 | | SMILES: | F[Be-](F)F | | InChi: | InChI=1S/Be.3FH/h | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | trifluoroberyllate(1-) |
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 | | BET | | 表記: | TRIMETHYL GLYCINE | | 組成式: | C5 H12 N O2 | | SMILES: | O=C(O)C[N+](C)(C)C | | InChi: | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | carboxy-N,N,N-trimethylmethanaminium |
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 | | BEZ | | 表記: | BENZOIC ACID | | 組成式: | C7 H6 O2 | | SMILES: | O=C(O)c1ccccc1 | | InChi: | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | benzoic acid |
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 | | BF0 | | 表記: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate | | 組成式: | C25 H32 N2 O6 | | SMILES: | O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6 | | InChi: | InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1 | | 別名: | beta-funaltrexamine, bound form | | 定義日: | 2012-02-07 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate |
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 | | BF6 | | 表記: | [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | 組成式: | C20 H17 N3 O4 | | SMILES: | C(=C1N=C(CN)N(CC(O)=O)C1=O)c3ccc(C(c2ccccc2)=O)cc3 | | InChi: | InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10- | | 別名: | PEPTIDE DERIVED CHROMOPHORE | | 定義日: | 2018-12-20 | | 最終更新日: | 2024-09-27 | | 公開日: | 2019-01-30 | | 識別子（ID）: | [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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