Chem
J-GLOBAL ID：200907051845191933   Nikkaji number：J473.548J

Heptacarboxyporphyrin I

ヘプタカルボキシポルフィリンI
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： C39H38N4O14
Molecular formula furigana： C39-H38-N4-O14
Molecular weight： 786.747
InChI： InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-30-23(11-38(54)55)20(4-8-35(48)49)28(42-30)16-32-24(12-39(56)57)21(5-9-36(50)51)29(43-32)15-31-22(10-37(52)53)19(3-7-34(46)47)27(41-31)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-13-,28-16-,29-15-,30-14-,31-15-,32-16-
InChI key： GWTVAIDNCPVMLP-YBWGHNILSA-N
SMILES： CC1=C(CCC(=O)O)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O)c(c1CCC(=O)O)CC(=O)O
Systematic name  (2)：
  • 171-デカルボキシウロポルフィリンI
  • 2,7,12-トリス(カルボキシメチル)-17-メチル-21H,23H-ポルフィリン-3,8,13,18-テトラプロピオン酸
Other name (4)：
  • ヘプタカルボキシポルフィリンI
  • Heptacarboxyporphyrin I
  • 2,7,12-Tris(carboxymethyl)-17-methyl-21H,23H-porphyrin-3,8,13,18-tetrapropionic acid
  • 171-Decarboxyuroporphyrin I
Thsaurus map：
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