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CHEBI:192784 - glycodeoxycholic acid-2,2,4,4-d4

ChEBI IDCHEBI:192784
ChEBI Nameglycodeoxycholic acid-2,2,4,4-d4
Stars
Submittermwilliams
DownloadsMolfile
FormulaC26H39D4NO5
Net Charge0
Average Mass453.656
Monoisotopic Mass453.33923
SMILES[H][C@@]12CC[C@]3([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]3(C)[C@@]1([H])C[C@H](O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)NCC(=O)O
InChIInChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2
InChIKeyWVULKSPCQVQLCU-JHVXYEQYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
glycodeoxycholic acid-2,2,4,4-d4 (CHEBI:192784) is a deuterated compound (CHEBI:76107)
glycodeoxycholic acid-2,2,4,4-d4 (CHEBI:192784) is a glycodeoxycholic acid (CHEBI:27471)