 | | PAT | | 表記: | ALPHA-PHOSPHONO-TRYPTOPHAN | | 組成式: | C11 H13 N2 O5 P | | SMILES: | O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18) | | 定義日: | 2001-03-12 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | alpha-phosphono-L-tryptophan |
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 | | A66 | | 表記: | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE | | 組成式: | C15 H24 N8 O3 | | SMILES: | O=C(O)C(N(C(=O)Cn1c2ncnc(c2nc1)N)CCN)CCCCN | | InChi: | InChI=1S/C15H24N8O3/c16-4-2-1-3-10(15(25)26)23(6-5-17)11(24)7-22-9-21-12-13(18)19-8-20-14(12)22/h8-10H,1-7,16-17H2,(H,25,26)(H2,18,19,20)/t10-/m1/s1 | | 定義日: | 2003-02-19 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N~2~-(2-aminoethyl)-N~2~-[(6-amino-9H-purin-9-yl)acetyl]-D-lysine |
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 | | PBA | | 表記: | PHENYLETHANE BORONIC ACID | | 組成式: | C8 H11 B O2 | | SMILES: | OB(O)CCc1ccccc1 | | InChi: | InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2-phenylethyl)boronic acid |
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 | | PBC | | 表記: | PHENYL BORONIC ACID | | 組成式: | C6 H7 B O2 | | SMILES: | OB(O)c1ccccc1 | | InChi: | InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H | | 定義日: | 2001-08-29 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | phenylboronic acid |
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 | | PBE | | 表記: | 1,1-DIMETHYL-PROLINIUM | | 組成式: | C7 H14 N O2 | | SMILES: | O=C(O)C1[N+](C)(C)CCC1 | | InChi: | InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1 | | 別名: | PROLINE BETAINE | | 定義日: | 2000-04-20 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2S)-2-carboxy-1,1-dimethylpyrrolidinium |
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 | | PBF | | 表記: | PARA-(BENZOYL)-PHENYLALANINE | | 組成式: | C16 H15 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2 | | InChi: | InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1 | | 定義日: | 2000-02-22 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 4-(phenylcarbonyl)-L-phenylalanine |
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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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 | | PBP | | 表記: | p-Bromophenacyl bromide | | 組成式: | C8 H6 Br2 O | | SMILES: | C(C(c1ccc(cc1)Br)=O)Br | | InChi: | InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-bromo-1-(4-bromophenyl)ethan-1-one |
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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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 | | PBW | | 表記: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol | | 組成式: | C7 H14 O6 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7- | | 定義日: | 2020-04-20 | | 最終更新日: | 2024-09-27 | | 公開日: | 2021-04-28 | | 識別子（ID）: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol |
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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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 | | PC | | 表記: | PHOSPHOCHOLINE | | 組成式: | C5 H15 N O4 P | | SMILES: | O=P(O)(O)OCC[N+](C)(C)C | | InChi: | InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N,N,N-trimethyl-2-(phosphonooxy)ethanaminium |
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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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 | | PCA | | 表記: | PYROGLUTAMIC ACID | | 組成式: | C5 H7 N O3 | | SMILES: | O=C(O)C1NC(=O)CC1 | | InChi: | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 5-oxo-L-proline |
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 | | PCG | | 表記: | CYCLIC GUANOSINE MONOPHOSPHATE | | 組成式: | C10 H12 N5 O7 P | | SMILES: | O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N | | InChi: | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one |
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 | | PCJ | | 表記: | (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE | | 組成式: | C54 H105 N O6 S | | SMILES: | O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCCC)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C54H105NO6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(57)55-50(46-56)48-62-49-51(61-54(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-60-53(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h50-51,56H,4-49H2,1-3H3,(H,55,57)/t50-,51+/m0/s1 | | 定義日: | 2007-09-19 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2R)-3-{[(2S)-2-(hexadecanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl dihexadecanoate |
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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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 | | PCM | | 表記: | 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N | | 組成式: | C32 H42 N4 O7 | | SMILES: | O=C(N2CC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)CC(C)C | | InChi: | InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxopyrrolidin-3-yl]-L-leucinamide |
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 | | PCN | | 表記: | 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | | 組成式: | C14 H19 N5 O5 S2 | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)/C(=NOC)c2nc(sc2)N | | InChi: | InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8-/t6-,9+,11-/m1/s1 | | 定義日: | 2002-05-07 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2R,4S)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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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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 | | PCS | | 表記: | PHENYLALANYLMETHYLCHLORIDE | | 組成式: | C10 H12 Cl N O | | SMILES: | ClCC(=O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1 | | 定義日: | 2000-04-05 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-amino-1-chloro-4-phenylbutan-2-one |
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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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