Chem
J-GLOBAL ID：200907035387252965   Nikkaji number：J1.414.578H

Verdoheme

ベルドヘム
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： C33H33N4O4[O+]
Molecular formula furigana： C33-H33-N4-O5
Molecular weight： 565.649
InChI： InChI=1S/C33H32N4O5/c1-7-20-19(6)32-37-27(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(36-26)42-32/h7-8,13-15H,1-2,9-12H2,3-6H3,(H3-,34,35,36,37,38,39,40,41)/p+1/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-
InChI key： FNDRWXWNTMLCDS-JRSAKOBVSA-O
SMILES： CC1=C(CCC(=O)O)C2=N/C/1=C\c1[nH]c(/[O+]=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CCC(=O)O)C(=C3C)C=C)c(c1C)C=C
Systematic name  (1)：
  • 5-オキソニアプロトポルフィリン
Other name (3)：
  • 5-Oxoniaprotoporphyrin
  • ベルドヘム
  • Verdoheme
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