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CHEBI:4259 - D-Urobilin

Default Structure
ChEBI IDCHEBI:4259
ChEBI NameD-Urobilin
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC33H40N4O6
Net Charge0
Average Mass588.705
Monoisotopic Mass588.29478
SMILESC=CC1=C(C)C(CC2=N/C(=C/c3nc(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChIInChI=1S/C33H40N4O6/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/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+
InChIKeyDOKCNDVEPDZOJQ-RWPZCVJISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
D-Urobilin (CHEBI:4259) is a biladienes (CHEBI:36735)
Synonyms  Source
3-(2-{[(2Z)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acidHMDB
D-UrobilinKEGG COMPOUND
UrobilinHMDB
Manual XrefsDatabases
C05795KEGG COMPOUND
HMDB0004161HMDB
Registry NumbersSources
CAS:3947-38-4KEGG COMPOUND
Citations