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CHEBI:231090 - Deoxycholylglutamic acid

ChEBI IDCHEBI:231090
ChEBI NameDeoxycholylglutamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H47NO7
Net Charge0
Average Mass521.695
Monoisotopic Mass521.33525
SMILESCC(CCC(=O)NC(CCC(=O)O)C(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C29H47NO7/c1-16(4-10-25(33)30-23(27(36)37)9-11-26(34)35)20-7-8-21-19-6-5-17-14-18(31)12-13-28(17,2)22(19)15-24(32)29(20,21)3/h16-24,31-32H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H,36,37)
InChIKeyZDFLHZVTXWIGQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Deoxycholylglutamic acid (CHEBI:231090) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
2-[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]pentanedioic acid
Manual XrefsDatabases
HMDB0242437HMDB