CHEBI:192788 - alpha-muricholic acid-d5

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name alpha-muricholic acid-d5
ChEBI ID CHEBI:192788
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C24H35D5O5
Net Charge 0
Average Mass 413.610
Monoisotopic Mass 413.31896
InChI InChI=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
InChIKey DKPMWHFRUGMUKF-DPNNYSDMSA-N
SMILES O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@]([C@@H]1O)(C([C@](O)(C(C4)([2H])[2H])[2H])([2H])[2H])[H])C)[H])C)[H])[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alpha-muricholic acid-d5 (CHEBI:192788) is a α-muricholic acid (CHEBI:81243)
alpha-muricholic acid-d5 (CHEBI:192788) is a deuterated compound (CHEBI:76107)