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CHEBI:6320 - (−)-stercobilinogen

Default Structure
ChEBI IDCHEBI:6320
ChEBI Name(−)-stercobilinogen
Stars
ASCII Name(-)-stercobilinogen
Last Modified11 September 2006
DownloadsMolfile
FormulaC33H48N4O6
Net Charge0
Average Mass596.769
Monoisotopic Mass596.35739
SMILES[H][C@@]1(Cc2nc(Cc3nc(C[C@]4([H])NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)[C@H](CC)[C@H]1C
InChIInChI=1S/C33H48N4O6/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/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1
InChIKeyVKGRRZVYCXLHII-OLFWPHQKSA-N
ChEBI Ontology
Outgoing Relation(s)
(−)-stercobilinogen (CHEBI:6320) is a stercobilinogen (CHEBI:36479)
IUPAC Names 
(2R,3R,4S,16S,17R,18R)-10,23-dihydrostercobilin
(2R,3R,4S,16S,17R,18R)-2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
(2R,3R,4S,16S,17R,18R)-2,17-diethyl-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acidChemIDplus
L-StercobilinogenKEGG COMPOUND
StercobilinogenKEGG COMPOUND
Manual XrefsDatabases
C05789KEGG COMPOUND
Registry NumbersSources
CAS:17095-63-5ChemIDplus