CHEBI:29023 - (−)-stercobilin

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ChEBI Name (−)-stercobilin
ChEBI ID CHEBI:29023
ChEBI ASCII Name (-)-stercobilin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6319
Supplier Information
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Formula C33H46N4O6
Net Charge 0
Average Mass 594.74170
Monoisotopic Mass 594.342
InChI InChI=1S/C33H46N4O6/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/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t16-,19-,20-,21-,26+,27+/m1/s1
InChIKey DEEUSUJLZQQESV-BQUSTMGCSA-N
SMILES CC[C@H]1[C@H](Cc2[nH]c(\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C/3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@@H]1C
ChEBI Ontology
Outgoing (−)-stercobilin (CHEBI:29023) is a stercobilin (CHEBI:26756)
IUPAC Name
(2R,3R,4S,10Z,16S,17R,18R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-21H-biline-8,12-dipropanoic acid
Synonyms Sources
(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid ChemIDplus
(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid ChemIDplus
L-Stercobilin KEGG COMPOUND
L-Urobilin KEGG COMPOUND
Stercobilin KEGG COMPOUND
stercobilin IX ChemIDplus
Manual Xref Database
C05793 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
34217-90-8 CAS Registry Number KEGG COMPOUND
34217-90-8 CAS Registry Number ChemIDplus
5326728 Beilstein Registry Number Beilstein
Last Modified
23 October 2015