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CHEBI:183106 - Deoxycholic Acid-D4

ChEBI IDCHEBI:183106
ChEBI NameDeoxycholic Acid-D4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36D4O4
Net Charge0
Average Mass396.604
Monoisotopic Mass396.31777
SMILES[2H]C1([2H])C[C@]2(C)C3CC(O)[C@]4(C)C(C(C)CCC(=O)O)CCC4C3CCC2C([2H])([2H])C1O
InChIInChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15?,16?,17?,18?,19?,20?,21?,23-,24+/m0/s1/i10D2,12D2
InChIKeyKXGVEGMKQFWNSR-KFFZQJOESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS1257) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Deoxycholic Acid-D4 (CHEBI:183106) is a cholanoid (CHEBI:36078)
IUPAC Name 
4-[(10S,13R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid