Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 22:03:42 UTC
Update Date2022-08-31 21:44:42 UTC
Metabolite IDMMDBc0032867
Metabolite Identification
Common NameAlpha Biliverdin
DescriptionA linear tetrapyrrole produced in the reticuloendothelial system by the first step of heme degradation, catalysed by heme oxygenase.
Structure
Synonyms
ValueSource
3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2Z)-4-ethenyl-5-hydroxy-3-methyl-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoateGenerator
Molecular FormulaC33H34N4O6
Average Mass582.6463
Monoisotopic Mass582.24783484
IUPAC Name3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2Z)-4-ethenyl-5-hydroxy-3-methyl-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Traditional Name3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-5-hydroxy-4-methylpyrrol-2-ylidene]methyl}-4-methylpyrrol-2-ylidene]methyl}-5-{[(2Z)-4-ethenyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
CAS Registry Number114-25-0
SMILES
[H]\C(C1=C(C)C(CCC(O)=O)=C(N1)C(\[H])=C1/N=C(/C(/[H])=C2\N=C(O)C(C)=C2C=C)C(C)=C1CCC(O)=O)=C1\N=C(O)C(C=C)=C1C
InChI Identifier
InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)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(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChI KeyGWZYPXHJIZCRAJ-SRVCBVSDSA-N