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CHEBI:29023 - (−)-stercobilin

ChEBI IDCHEBI:29023
ChEBI Name(−)-stercobilin
Stars
ASCII Name(-)-stercobilin
Secondary ChEBI IDCHEBI:6319
Last Modified23 October 2015
DownloadsMolfile
FormulaC33H46N4O6
Net Charge0
Average Mass594.753
Monoisotopic Mass594.34174
SMILESCC[C@H]1[C@H](Cc2nc(/C=C3\N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)[C@@H]1C
InChIInChI=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
InChIKeyDEEUSUJLZQQESV-BQUSTMGCSA-N
ChEBI Ontology
Outgoing Relation(s)
(−)-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  Source
L-UrobilinKEGG COMPOUND
L-StercobilinKEGG COMPOUND
StercobilinKEGG COMPOUND
stercobilin IXChemIDplus
(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 acidChemIDplus
(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 acidChemIDplus
Manual XrefsDatabases
C05793KEGG COMPOUND
Registry NumbersSources
Beilstein:5326728Beilstein
CAS:34217-90-8KEGG COMPOUND
CAS:34217-90-8ChemIDplus