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CHEBI:192788 - alpha-muricholic acid-d5

ChEBI IDCHEBI:192788
ChEBI Namealpha-muricholic acid-d5
Stars
Submittermwilliams
DownloadsMolfile
FormulaC24H35D5O5
Net Charge0
Average Mass413.610
Monoisotopic Mass413.31896
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC([2H])([2H])[C@@]([2H])(O)C([2H])([2H])[C@@]3([H])[C@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1/i8D2,12D2,14D
InChIKeyDKPMWHFRUGMUKF-DPNNYSDMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
alpha-muricholic acid-d5 (CHEBI:192788) is a deuterated compound (CHEBI:76107)
alpha-muricholic acid-d5 (CHEBI:192788) is a α-muricholic acid (CHEBI:81243)