| PIP | Name: | PIPERIDINE | Formula: | C5 H11 N | SMILES: | N1CCCCC1 | InChi: | InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | piperidine |
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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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| PIV | Name: | PIVALIC ACID | Formula: | C5 H10 O2 | SMILES: | O=C(O)C(C)(C)C | InChi: | InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 2,2-dimethylpropanoic acid |
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| PIX | Name: | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | Formula: | C19 H19 F3 N2 O3 | SMILES: | FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O)O)CC3 | InChi: | InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-5-17(23-12-15)27-16-3-1-2-14(11-16)10-13-6-8-24(9-7-13)18(25)26/h1-5,11-13H,6-10H2,(H,25,26) | Definition date: | 2009-02-11 | Last modified: | 2024-09-27 | Identifier: | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic 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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| PJ3 | Name: | (2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid | Formula: | C17 H25 N8 O9 P | SMILES: | CN1CN([CH]2O[CH](CO[P](O)(=O)n3cnc(C[CH](N)C(O)=O)c3)[CH](O)[CH]2O)C4=C1C(=O)NC(=N4)N | InChi: | InChI=1S/C17H25N8O9P/c1-23-6-25(13-10(23)14(28)22-17(19)21-13)15-12(27)11(26)9(34-15)4-33-35(31,32)24-3-7(20-5-24)2-8(18)16(29)30/h3,5,8-9,11-12,15,26-27H,2,4,6,18H2,1H3,(H,29,30)(H,31,32)(H3,19,21,22,28)/t8-,9+,11+,12+,15+/m0/s1 | Synonyms: | 7GMP capped histidine | Definition date: | 2022-10-04 | Last modified: | 2024-09-27 | Release date: | 2023-05-03 | Identifier: | (2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid |
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| PJ5 | Name: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol | Formula: | C6 H12 O4 | SMILES: | OC[CH]1C[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1 | Definition date: | 2020-04-20 | Last modified: | 2024-09-27 | Release date: | 2021-01-27 | Identifier: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol |
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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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| PJ7 | Name: | 4-aminofuran-2-carboxylic acid | Formula: | C5 H5 N O3 | SMILES: | O=C(O)c1occ(N)c1 | InChi: | InChI=1S/C5H5NO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,6H2,(H,7,8) | Definition date: | 2010-10-20 | Last modified: | 2024-09-27 | Identifier: | 4-aminofuran-2-carboxylic acid |
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| PJA | Name: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid | Formula: | C18 H14 O8 | SMILES: | O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(O)c3C=O)C | InChi: | InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22) | Synonyms: | Psoromic acid | Definition date: | 2012-05-08 | Last modified: | 2024-09-27 | Identifier: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid |
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| PJE | Name: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid | Formula: | C9 H14 N2 O3 | SMILES: | N[CH](C[CH]1CCNC1=O)C=CC(O)=O | InChi: | InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1 | Definition date: | 2015-11-24 | Last modified: | 2024-09-27 | Release date: | 2015-12-02 | Identifier: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid |
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| PJI | Name: | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide | Formula: | C40 H57 Cl N3 O3 | SMILES: | CN1c2ccccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C | InChi: | InChI=1S/C40H56ClN3O3/c1-39(2)32-18-10-12-20-34(32)43(5)36(39)22-17-23-37-40(3,4)33-19-11-13-21-35(33)44(37)27-15-8-9-24-38(45)42-26-29-47-31-30-46-28-16-7-6-14-25-41/h10-13,17-23H,6-9,14-16,24-31H2,1-5H3/p+1 | Definition date: | 2022-10-04 | Last modified: | 2024-09-27 | Release date: | 2023-07-26 | Identifier: | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide |
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| PJJ | Name: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid | Formula: | C19 H23 N O3 | SMILES: | O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2 | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1 | Definition date: | 2010-08-20 | Last modified: | 2024-09-27 | Identifier: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic 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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| PJR | Name: | [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C24 H40 F2 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O | InChi: | InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22-/m0/s1 | Definition date: | 2022-05-26 | Last modified: | 2024-09-27 | Release date: | 2022-06-22 | Identifier: | [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
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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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| PKH | Name: | ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide | Formula: | C21 H23 Cl N5 O S | SMILES: | N/C(S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n3)C3CC3)C1CC2 | InChi: | InChI=1S/C21H22ClN5OS/c22-15-7-12(18-10-24-9-17(25-18)11-1-2-11)3-5-14(15)20(28)26-16-8-13-4-6-19(16)27(13)21(23)29/h3,5,7,9-11,13,16,19H,1-2,4,6,8H2,(H3,23,26,28,29)/p+1/t13-,16+,19+/m0/s1 | Definition date: | 2022-05-26 | Last modified: | 2024-09-27 | Release date: | 2023-02-01 | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(4M)-2-chloro-4-(6-cyclopropylpyrazin-2-yl)benzene-1-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
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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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| PKV | Name: | [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid | Formula: | C11 H16 B N4 O7 P S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)NCc2cn(CB(O)O[P](O)(O)=O)nn2 | InChi: | InChI=1S/C11H16BN4O7PS/c1-9-2-4-11(5-3-9)25(21,22)13-6-10-7-16(15-14-10)8-12(17)23-24(18,19)20/h2-5,7,13,17H,6,8H2,1H3,(H2,18,19,20) | Definition date: | 2019-08-16 | Last modified: | 2024-09-27 | Release date: | 2020-06-24 | Identifier: | [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid |
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| PKY | Name: | [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid | Formula: | C10 H12 B N4 O6 P | SMILES: | NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2 | InChi: | InChI=1S/C10H12BN4O6P/c12-10(16)8-3-1-2-7(4-8)9-5-15(14-13-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H2,12,16)(H2,18,19,20) | Definition date: | 2019-08-16 | Last modified: | 2024-09-27 | Release date: | 2020-06-24 | Identifier: | [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid |
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| BNO | Name: | NORLEUCINE BORONIC ACID | Formula: | C5 H14 B N O2 | SMILES: | OB(O)C(N)CCCC | InChi: | InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1R)-1-aminopentyl]boronic acid |
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