EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192787 - taurodeoxycholic acid-d4

ChEBI IDCHEBI:192787
ChEBI Nametaurodeoxycholic acid-d4
Stars
Submittermwilliams
DownloadsMolfile
FormulaC26H41D4NO6S
Net Charge0
Average Mass503.738
Monoisotopic Mass503.32187
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)NCCS(=O)(=O)O
InChIInChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1/i10D2,14D2
InChIKeyAWDRATDZQPNJFN-QFNLNYLLSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
taurodeoxycholic acid-d4 (CHEBI:192787) is a deuterated compound (CHEBI:76107)
taurodeoxycholic acid-d4 (CHEBI:192787) is a taurodeoxycholic acid (CHEBI:9410)