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

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ChEBI Name taurochenodeoxycholic acid-2,2,4,4-d4
ChEBI ID CHEBI:192786
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C26H41D4NO6S
Net Charge 0
Average Mass 503.730
Monoisotopic Mass 503.32187
InChI InChI=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
InChIKey BHTRKEVKTKCXOH-GLYOETPHSA-N
SMILES S(O)(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via taurochenodeoxycholic acid )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via taurochenodeoxycholic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)