EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192785 - lithocholic acid-2,2,4,4-d4

ChEBI IDCHEBI:192785
ChEBI Namelithocholic acid-2,2,4,4-d4
Stars
Submittermwilliams
DownloadsMolfile
FormulaC24H36D4O3
Net Charge0
Average Mass380.605
Monoisotopic Mass380.32285
SMILES[H][C@@]12CC[C@]3([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2
InChIKeySMEROWZSTRWXGI-POXZWENPSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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).
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
lithocholic acid-2,2,4,4-d4 (CHEBI:192785) is a deuterated compound (CHEBI:76107)
lithocholic acid-2,2,4,4-d4 (CHEBI:192785) is a lithocholic acid (CHEBI:16325)