CHEBI:36378 - urobilin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name urobilin
ChEBI ID CHEBI:36378
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5843, CHEBI:27245
Supplier Information
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Formula C33H42N4O6
Net Charge 0
Average Mass 590.70994
Monoisotopic Mass 590.310
InChI InChI=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)
InChIKey KDCCOOGTVSRCHX-UHFFFAOYSA-N
SMILES [H]C(=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(O)=O)c1[nH]c(CC2NC(=O)C(C)=C2CC)c(C)c1CCC(O)=O
ChEBI Ontology
Outgoing urobilin (CHEBI:36378) has parent hydride bilene-b (CHEBI:36732)
urobilin (CHEBI:36378) is a bilenes (CHEBI:36736)
Incoming (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 Sources
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 acid ChemIDplus
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 acid ChemIDplus
8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione JCBN
I-Urobilin KEGG COMPOUND
I-Urobilin KEGG COMPOUND
urobilin JCBN
Manual Xref Database
C05794 KEGG COMPOUND
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Registry Numbers Types Sources
1856-98-0 CAS Registry Number ChemIDplus
3027217 Beilstein Registry Number Beilstein
Last Modified
28 July 2014