CHEBI:4259 - D-Urobilin

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ChEBI Name D-Urobilin ChEBI ID CHEBI:4259 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C33H40N4O6 C33H40N4O6 Net Charge 0 Average Mass 588.695 Monoisotopic Mass 588.29479 InChI InChI=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+ InChIKey DOKCNDVEPDZOJQ-RWPZCVJISA-N SMILES CCC1=C(C)C(=O)NC1Cc1[nH]c(\C=C2\N=C(CC3NC(=O)C(C=C)=C3C)C(C)=C\2CCC(O)=O)c(CCC(O)=O)c1C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing D-Urobilin (CHEBI:4259) is a biladienes (CHEBI:36735) Synonyms Sources 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 acid HMDB D-Urobilin KEGG COMPOUND Urobilin HMDB Manual Xrefs Databases C05795 KEGG COMPOUND HMDB0004161 HMDB View more database links Registry Number Type Source 3947-38-4 CAS Registry Number KEGG COMPOUND Citations Types Sources 16604237 PubMed citation Europe PMC 24023812 PubMed citation Europe PMC Last Modified 23 October 2015