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CHEBI:230158 - Cholylvaline

ChEBI IDCHEBI:230158
ChEBI NameCholylvaline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49NO6
Net Charge0
Average Mass507.712
Monoisotopic Mass507.35599
SMILESCC(C)C(NC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(=O)O
InChIInChI=1S/C29H49NO6/c1-15(2)26(27(35)36)30-24(34)9-6-16(3)19-7-8-20-25-21(14-23(33)29(19,20)5)28(4)11-10-18(31)12-17(28)13-22(25)32/h15-23,25-26,31-33H,6-14H2,1-5H3,(H,30,34)(H,35,36)
InChIKeyWVFDPCYTNIXGHI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Cholylvaline (CHEBI:230158) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
3-methyl-2-[4-(3,7,12-trihydroxy-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]butanoic acid
Manual XrefsDatabases
HMDB0242380HMDB