Chem
J-GLOBAL ID：200907073209704363   Nikkaji number：J12.288B

Uroporphyrin I

ウロポルフィリン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： C40H38N4O16
Molecular formula furigana： C40-H38-N4-O16
Molecular weight： 830.756
InChI： InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
InChI key： DAFUFNRZWDWXJP-JRHDEHKPSA-N
SMILES： OC(=O)CCC1=C(CC(=O)O)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)c(c1CC(=O)O)CCC(=O)O
Systematic name  (1)：
  • 3,8,13,18-テトラキス(カルボキシメチル)-21H,23H-ポルフィリン-2,7,12,17-テトラプロパン酸
Other name (3)：
  • ウロポルフィリンI
  • Uroporphyrin I
  • 3,8,13,18-Tetrakis(carboxymethyl)-21H,23H-porphyrin-2,7,12,17-tetrapropanoic acid
CAS registry number： 607-14-7
KEGG COMPOUND： C05767
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