CHEBI:363227 - 6α,20ξ-murideoxycholic acid

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ChEBI Name 6α,20ξ-murideoxycholic acid
ChEBI ID CHEBI:363227
ChEBI ASCII Name 6alpha,20xi-murideoxycholic acid
Definition The 6α,20ξ-stereoisomer of murideoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H40O4
Net Charge 0
Average Mass 392.57200
Monoisotopic Mass 392.29266
InChI InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKey DGABKXLVXPYZII-LJESHCOTSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)CCC(O)=O
ChEBI Ontology
Outgoing 6α,20ξ-murideoxycholic acid (CHEBI:363227) is a 3α-hydroxy steroid (CHEBI:36835)
6α,20ξ-murideoxycholic acid (CHEBI:363227) is a 6α-hydroxy steroid (CHEBI:36850)
Incoming hyodeoxycholic acid (CHEBI:52023) is a 6α,20ξ-murideoxycholic acid (CHEBI:363227)
IUPAC Name
3α,6α-dihydroxy-5β,20ξ-cholan-24-oic acid
Citation Waiting for Citations Type Source
18307294 PubMed citation Europe PMC
Last Modified
08 July 2014