CHEBI:26756 - stercobilin

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ChEBI Name stercobilin
ChEBI ID CHEBI:26756
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C33H46N4O6
Net Charge 0
Average Mass 594.74170
Monoisotopic Mass 594.34174
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)
InChIKey DEEUSUJLZQQESV-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 stercobilin (CHEBI:26756) has parent hydride bilene-b (CHEBI:36732)
stercobilin (CHEBI:26756) is a bilenes (CHEBI:36736)
Incoming (−)-stercobilin (CHEBI:29023) is a stercobilin (CHEBI:26756)
IUPAC Names
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
stercobilin
Synonyms Sources
8,12-bis(2-carboxyethyl)-3,18-diethyl-2,3,17,18-tetrahydro-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione JCBN
stercobilin IXα JCBN
Registry Number Type Source
635511 Beilstein Registry Number Beilstein
Last Modified
09 October 2006