CHEBI:48742 - 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid
ChEBI ID CHEBI:48742
ChEBI ASCII Name 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H46O6
Net Charge 0
Average Mass 466.65054
Monoisotopic Mass 466.32944
InChI InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,26+,27-/m1/s1
InChIKey FAYYTQMQTAKHRM-QDVPYJSNSA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)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): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) has role bile acid metabolite (CHEBI:48887)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) is a 12α-hydroxy steroid (CHEBI:36846)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) is a 24-hydroxy steroid (CHEBI:36865)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) is a 3α-hydroxy steroid (CHEBI:36835)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) is a 7α-hydroxy steroid (CHEBI:36843)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) is a hydroxy monocarboxylic acid (CHEBI:35868)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) is conjugate acid of 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oate (CHEBI:63823)
Incoming (24R,25R)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oyl-CoA (CHEBI:52050) has functional parent 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742)
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820) is a 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oate (CHEBI:63823) is conjugate base of 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742)
IUPAC Name
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid
Synonyms Sources
3α,7α,12α,24-tetrahydroxy-5β-cholestanoic acid ChEBI
3α,7α,12α,24ξ-tetrahydroxy-5β-cholestan-26-oic acid ChEBI
Manual Xref Database
LMST04030067 LIPID MAPS
View more database links
Registry Number Type Source
5774876 Reaxys Registry Number Reaxys
Last Modified
06 February 2012