EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192786 - taurochenodeoxycholic acid-2,2,4,4-d4

ChEBI IDCHEBI:192786
ChEBI Nametaurochenodeoxycholic acid-2,2,4,4-d4
Stars
Submittermwilliams
DownloadsMolfile
FormulaC26H41D4NO6S
Net Charge0
Average Mass503.738
Monoisotopic Mass503.32187
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC([2H])([2H])[C@@H](O)C([2H])([2H])[C@@]3([H])C[C@@H](O)[C@@]21[H]
InChIInChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1/i8D2,14D2
InChIKeyBHTRKEVKTKCXOH-GLYOETPHSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
taurochenodeoxycholic acid-2,2,4,4-d4 (CHEBI:192786) is a deuterated compound (CHEBI:76107)
taurochenodeoxycholic acid-2,2,4,4-d4 (CHEBI:192786) is a taurochenodeoxycholic acid (CHEBI:16525)