CHEBI:178019 - homoavicholic acid

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ChEBI Name homoavicholic acid
ChEBI ID CHEBI:178019
Definition A 3α-hydroxy steroid that is avicholic acid that contains an extra methylene (CH2) group at position 24.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C25H42O5
Net Charge 0
Average Mass 422.606
Monoisotopic Mass 422.30322
InChI InChI=1S/C25H42O5/c1-14(5-4-6-21(29)30)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-20,22-23,26-28H,4-13H2,1-3H3,(H,29,30)/t14-,15+,16-,17+,18+,19-,20-,22-,23+,24+,25+/m1/s1
InChIKey NKSUISQSQREBOX-UKYLPQCDSA-N
SMILES [H][C@]1([C@H](C)CCCC(O)=O)[C@H](O)C[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing homoavicholic acid (CHEBI:178019) is a 16α-hydroxy steroid (CHEBI:16799)
homoavicholic acid (CHEBI:178019) is a 3α-hydroxy steroid (CHEBI:36835)
homoavicholic acid (CHEBI:178019) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
24-homo-3α,7α,16α-trihydroxy-5β-cholan-25-oic acid
Synonym Source
(5R)-5-[(1R,2R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aS)-2,4,7-trihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexanoic acid IUPAC
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Last Modified
09 September 2021