![29W 29W](https://data.pdbj.org/pdbjplus/data/cc/svg/29W.svg) | 29W | Name: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid | Formula: | C19 H18 N2 O6 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C19H18N2O6S/c1-12-3-6-15(7-4-12)28(25,26)20-19(24)17-10-13-9-14(27-2)5-8-16(13)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23) | Synonyms: | 2-(5-METHOXY-2-(TOSYLCARBAMOYL)-1H-INDOL-1-YL)ACETIC ACID | Definition date: | 2013-09-16 | Last modified: | 2020-06-17 | Release date: | 2014-08-27 | Identifier: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid |
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![PMY PMY](https://data.pdbj.org/pdbjplus/data/cc/svg/PMY.svg) | PMY | Name: | AGLYCON OF PEPLOMYCIN | Formula: | C48 H67 N17 O10 S2 | SMILES: | O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N | InChi: | InChI=1S/C48H67N17O10S2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1 | Synonyms: | AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE | Definition date: | 1999-07-16 | Last modified: | 2020-06-17 | Identifier: | 2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name) |
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![PMZ PMZ](https://data.pdbj.org/pdbjplus/data/cc/svg/PMZ.svg) | PMZ | Name: | 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE | Formula: | C19 H22 N2 O S | SMILES: | O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C | InChi: | InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 | Synonyms: | ACETYLPROMAZINE | Definition date: | 2002-06-20 | Last modified: | 2020-06-17 | Identifier: | 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone |
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![PN6 PN6](https://data.pdbj.org/pdbjplus/data/cc/svg/PN6.svg) | PN6 | Name: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione | Formula: | C19 H20 N4 O2 | SMILES: | [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3 | InChi: | InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10- | Synonyms: | Plinabulin | Definition date: | 2015-08-28 | Last modified: | 2020-06-17 | Release date: | 2015-11-04 | Identifier: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione |
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![PNP PNP](https://data.pdbj.org/pdbjplus/data/cc/svg/PNP.svg) | PNP | Name: | METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER | Formula: | C7 H8 N O5 P | SMILES: | O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)C | InChi: | InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12) | Synonyms: | 4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 4-nitrophenyl hydrogen (R)-methylphosphonate |
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![PNV PNV](https://data.pdbj.org/pdbjplus/data/cc/svg/PNV.svg) | PNV | Name: | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID | Formula: | C16 H18 N2 O5 S | SMILES: | c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)O)=O)=O | InChi: | InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | Synonyms: | PENICILLIN V | Definition date: | 2005-11-14 | Last modified: | 2020-06-17 | Identifier: | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![PNX PNX](https://data.pdbj.org/pdbjplus/data/cc/svg/PNX.svg) | PNX | Name: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | Formula: | C13 H18 N4 O3 | SMILES: | O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C | InChi: | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | Synonyms: | PENTOXIFYLLINE | Definition date: | 2005-06-28 | Last modified: | 2020-06-17 | Identifier: | 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
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![2BA 2BA](https://data.pdbj.org/pdbjplus/data/cc/svg/2BA.svg) | 2BA | Name: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8
]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide | Formula: | C20 H24 N10 O12 P2 | SMILES: | O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Synonyms: | bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate | Definition date: | 2008-01-29 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide |
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![POD POD](https://data.pdbj.org/pdbjplus/data/cc/svg/POD.svg) | POD | Name: | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE | Formula: | C22 H22 O8 | SMILES: | O=C4OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC)c3)C45 | InChi: | InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 | Synonyms: | PODOPHYLLOTOXIN | Definition date: | 2004-03-04 | Last modified: | 2020-06-17 | Identifier: | (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one |
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![2BQ 2BQ](https://data.pdbj.org/pdbjplus/data/cc/svg/2BQ.svg) | 2BQ | Name: | 2-hydroxysaclofen | Formula: | C9 H12 Cl N O4 S | SMILES: | Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O | InChi: | InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1 | Synonyms: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid |
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![POT POT](https://data.pdbj.org/pdbjplus/data/cc/svg/POT.svg) | POT | Name: | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | Formula: | C11 H16 Cl O3 P | SMILES: | ClP(=O)(OC(COc1ccccc1)CC)C | InChi: | InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1 | Synonyms: | (RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE | Definition date: | 2006-11-20 | Last modified: | 2020-06-17 | Identifier: | (1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate |
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![2BR 2BR](https://data.pdbj.org/pdbjplus/data/cc/svg/2BR.svg) | 2BR | Name: | 2-BROMOPHENOL | Formula: | C6 H5 Br O | SMILES: | Brc1ccccc1O | InChi: | InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H | Synonyms: | BROMOPHENOL | Definition date: | 2005-08-03 | Last modified: | 2020-06-17 | Identifier: | 2-bromophenol |
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![POV POV](https://data.pdbj.org/pdbjplus/data/cc/svg/POV.svg) | POV | Name: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | Formula: | C42 H82 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1 | Synonyms: | POPC | Definition date: | 2010-03-17 | Last modified: | 2020-06-17 | Identifier: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
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![POY POY](https://data.pdbj.org/pdbjplus/data/cc/svg/POY.svg) | POY | Name: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione | Formula: | C15 H22 N4 O3 | SMILES: | O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC | InChi: | InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 | Synonyms: | Propentofylline | Definition date: | 2010-12-21 | Last modified: | 2020-06-17 | Identifier: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
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![2BW 2BW](https://data.pdbj.org/pdbjplus/data/cc/svg/2BW.svg) | 2BW | Name: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid | Formula: | C8 H20 N O4 P | SMILES: | O=P(O)(CCCN)C(OCC)OCC | InChi: | InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11) | Synonyms: | CGP 35348 | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid |
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![2BY 2BY](https://data.pdbj.org/pdbjplus/data/cc/svg/2BY.svg) | 2BY | Name: | phaclofen | Formula: | C9 H13 Cl N O3 P | SMILES: | Clc1ccc(cc1)C(CP(=O)(O)O)CN | InChi: | InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1 | Synonyms: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid |
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![2C0 2C0](https://data.pdbj.org/pdbjplus/data/cc/svg/2C0.svg) | 2C0 | Name: | baclofen | Formula: | C10 H12 Cl N O2 | SMILES: | Clc1ccc(cc1)C(CN)CC(=O)O | InChi: | InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | Synonyms: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid |
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![PP3 PP3](https://data.pdbj.org/pdbjplus/data/cc/svg/PP3.svg) | PP3 | Name: | ALANYL-PYRIDOXAL-5'-PHOSPHATE | 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-/m0/s1 | Synonyms: | PYRIDOXYL-ALANINE-5-PHOSPHATE | Definition date: | 1999-08-12 | Last modified: | 2020-06-17 | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine |
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![PPD PPD](https://data.pdbj.org/pdbjplus/data/cc/svg/PPD.svg) | PPD | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID | Formula: | C12 H17 N2 O9 P | SMILES: | O=C(O)CC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O | InChi: | InChI=1S/C12H17N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3,9,14,17H,2,4-5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/t9-/m0/s1 | Synonyms: | PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-aspartic acid |
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![PPE PPE](https://data.pdbj.org/pdbjplus/data/cc/svg/PPE.svg) | PPE | Name: | 4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM | Formula: | C13 H20 N2 O9 P | SMILES: | O=C(O)C(NCc1c(c[nH+]c(c1O)C)COP(=O)(O)O)CCC(=O)O | InChi: | InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/p+1/t10-/m0/s1 | Synonyms: | PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methyl)-L-glutamic acid |
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![2CC 2CC](https://data.pdbj.org/pdbjplus/data/cc/svg/2CC.svg) | 2CC | Name: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | Formula: | C22 H13 Cl2 N3 O4 | SMILES: | Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4 | InChi: | InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31) | Synonyms: | 11,11'-Dichlorochromopyrrolic Acid | Definition date: | 2009-04-13 | Last modified: | 2020-06-17 | Identifier: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid |
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![PPQ PPQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PPQ.svg) | PPQ | Name: | PHOSPHINOTHRICIN | Formula: | C5 H12 N O4 P | SMILES: | O=P(O)(C)CCC(C(=O)O)N | InChi: | InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 | Synonyms: | 2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID | Definition date: | 2000-09-27 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-amino-4-[(R)-hydroxy(methyl)phosphoryl]butanoic acid |
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![2CU 2CU](https://data.pdbj.org/pdbjplus/data/cc/svg/2CU.svg) | 2CU | Name: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | Formula: | C19 H24 Cl N5 O3 S | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | Synonyms: | LY2119620 positive allosteric modulator of M2/M4 receptor | Definition date: | 2013-09-20 | Last modified: | 2020-06-17 | Release date: | 2013-11-27 | Identifier: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
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![PQ0 PQ0](https://data.pdbj.org/pdbjplus/data/cc/svg/PQ0.svg) | PQ0 | Name: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE | Formula: | C7 H5 N5 O | SMILES: | N#Cc1cnc2N=C(NC(=O)c12)N | InChi: | InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13) | Synonyms: | 7-DEAZA-7-CYANO-GUANINE | Definition date: | 2002-01-22 | Last modified: | 2020-06-17 | Identifier: | 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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![PQ2 PQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/PQ2.svg) | PQ2 | Name: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1
2,18-tetrayl]tetrapropanoic acid | Formula: | C42 H48 N4 O16 | SMILES: | N3=C4C=C5C(C(C(=Cc1nc(c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C(C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N5)(C)CC(O)=O)CCC(O)=O | InChi: | InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23?,24?,41-,42-/m0/s1 | Synonyms: | Precorrin-2 | Definition date: | 2019-06-20 | Last modified: | 2020-06-17 | Release date: | 2020-03-04 | Identifier: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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