CHEBI:72727 - 3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid

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ChEBI Name 3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid
ChEBI ID CHEBI:72727
ChEBI ASCII Name 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic acid
Definition A C27 bile acid that is 5β-cholest-24-en-26-oic acid substituted by hydroxy groups at positions 3α and 7β.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O4
Net Charge 0
Average Mass 432.63590
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18+,19-,20-,21+,22+,23+,24+,26+,27-/m1/s1
InChIKey VEEPNZJORQZZNC-FLTYDXKWSA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](O)C2)[C@H](C)CC\C=C(/C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) has role metabolite (CHEBI:25212)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) is a 3α-hydroxy steroid (CHEBI:36835)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) is a 7β-hydroxy steroid (CHEBI:35349)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) is a bile acid (CHEBI:3098)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) is a cholestanoid (CHEBI:50401)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) is a dihydroxy monocarboxylic acid (CHEBI:35972)
IUPAC Name
(3α,5β,7β,24E)-3,7-dihydroxycholest-24-en-26-oic acid
Manual Xref Database
LMST04030142 LIPID MAPS
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Citation Waiting for Citations Type Source
23078175 PubMed citation Europe PMC
Last Modified
27 June 2014