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CHEBI:230211 - Deoxycholyllysine

ChEBI IDCHEBI:230211
ChEBI NameDeoxycholyllysine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52N2O5
Net Charge0
Average Mass520.755
Monoisotopic Mass520.38762
SMILESCC(CCC(=O)NC(CCCCN)C(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
InChIInChI=1S/C30H52N2O5/c1-18(7-12-27(35)32-25(28(36)37)6-4-5-15-31)22-10-11-23-21-9-8-19-16-20(33)13-14-29(19,2)24(21)17-26(34)30(22,23)3/h18-26,33-34H,4-17,31H2,1-3H3,(H,32,35)(H,36,37)
InChIKeyNQGPNQJTMGFHLB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Deoxycholyllysine (CHEBI:230211) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
6-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]hexanoic acid
Manual XrefsDatabases
HMDB0242422HMDB