EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230624 - Deoxycholylglutamine

ChEBI IDCHEBI:230624
ChEBI NameDeoxycholylglutamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48N2O6
Net Charge0
Average Mass520.711
Monoisotopic Mass520.35124
SMILESCC(CCC(=O)NC(CCC(N)=O)C(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C29H48N2O6/c1-16(4-11-26(35)31-23(27(36)37)9-10-25(30)34)20-7-8-21-19-6-5-17-14-18(32)12-13-28(17,2)22(19)15-24(33)29(20,21)3/h16-24,32-33H,4-15H2,1-3H3,(H2,30,34)(H,31,35)(H,36,37)
InChIKeyFLXKZFGVFOVEJM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Deoxycholylglutamine (CHEBI:230624) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
5-amino-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]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0242440HMDB