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CHEBI:36378 - urobilin

ChEBI IDCHEBI:36378
ChEBI Nameurobilin
Stars
Secondary ChEBI IDsCHEBI:5843, CHEBI:27245
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC33H42N4O6
Net Charge0
Average Mass590.721
Monoisotopic Mass590.31044
SMILES[H]C(=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O)c1nc(CC2NC(=O)C(C)=C2CC)c(C)c1CCC(=O)O
InChIInChI=1S/C33H42N4O6/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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChIKeyKDCCOOGTVSRCHX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
urobilin (CHEBI:36378) has parent hydride bilene-b (CHEBI:36732)
urobilin (CHEBI:36378) is a bilenes (CHEBI:36736)
Incoming Relation(s)
(4S,10Z,16R)-phycourobilin (CHEBI:45097) is a urobilin (CHEBI:36378)
IUPAC Name 
3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
I-UrobilinKEGG COMPOUND
3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acidChemIDplus
3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acidChemIDplus
8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dioneJCBN
urobilinJCBN
I-UrobilinKEGG COMPOUND
Manual XrefsDatabases
C05794KEGG COMPOUND
Registry NumbersSources
Beilstein:3027217Beilstein
CAS:1856-98-0ChemIDplus