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CHEBI:230191 - Cholylhistidine

ChEBI IDCHEBI:230191
ChEBI NameCholylhistidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H47N3O6
Net Charge0
Average Mass545.721
Monoisotopic Mass545.34649
SMILESCC(CCC(=O)NC(Cc1cncn1)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C30H47N3O6/c1-16(4-7-26(37)33-23(28(38)39)12-18-14-31-15-32-18)20-5-6-21-27-22(13-25(36)30(20,21)3)29(2)9-8-19(34)10-17(29)11-24(27)35/h14-17,19-25,27,34-36H,4-13H2,1-3H3,(H,31,32)(H,33,37)(H,38,39)
InChIKeyGOBIDZCUVCOUAI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Cholylhistidine (CHEBI:230191) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
3-(1H-imidazol-5-yl)-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]propanoic acid
Manual XrefsDatabases
HMDB0242389HMDB