Chem
J-GLOBAL ID：200907036979169536   Nikkaji number：J1.998.878C

3,7,17-Trimethyl-8-ethenyl-12-formyl-13-ethyl-18-carboxy-20-(carboxymethyl)-2,3-dihydro-21H,23H-porphyrin-2-propionic acid

3,7,17-トリメチル-8-エテニル-12-ホルミル-13-エチル-18-カルボキシ-20-(カルボキシメチル)-2,3-ジヒドロ-21H,23H-ポルフィリン-2-プロピオン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H34N4O7
Molecular formula furigana： C34-H34-N4-O7
Molecular weight： 610.667
InChI： InChI=1S/C34H34N4O7/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23/h6,11-14,16,20,36-37H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b24-11-,25-12-,26-13-,32-21-
InChI key： AKRIGXKUQBGIEL-MMZWNACPSA-N
SMILES： CCc1c(C=O)c2/C=C/3\N=C(/C=C/4\N/C(=C(/CC(=O)O)\C5=N/C(=C\c1[nH]2)/C(=C5C(=O)O)C)/C(CCC(=O)O)C4C)C(=C3C=C)C
Systematic name  (3)：
  • 3,7,17-トリメチル-8-エテニル-12-ホルミル-13-エチル-18-カルボキシ-20-(カルボキシメチル)-2,3-ジヒドロ-21H,23H-ポルフィリン-2-プロピオン酸
  • 20-(2-カルボキシエチル)-2-(カルボキシメチル)-14-エテニル-9-エチル-10-ホルミル-5,15,19-トリメチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17-デカエン-4-カルボン酸
  • 20-(2-carboxyethyl)-2-(carboxymethyl)-14-ethenyl-9-ethyl-10-formyl-5,15,19-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17-decaene-4-carboxylic acid
Other name (1)：
  • 3,7,17-Trimethyl-8-ethenyl-12-formyl-13-ethyl-18-carboxy-20-(carboxymethyl)-2,3-dihydro-21H,23H-porphyrin-2-propionic acid
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