CHEBI:73926 - 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid
ChEBI ID CHEBI:73926
ChEBI ASCII Name 3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid
Definition A dihydroxy-5β-cholanic acid that is deoxycholic acid with a double bond at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H38O4
Net Charge 0
Average Mass 390.55610
Monoisotopic Mass 390.27701
InChI InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,14-21,25-26H,4,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey LNOFKAWCANXKAC-LLQZFEROSA-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=C2)[C@H](C)CCC(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has functional parent deoxycholic acid (CHEBI:28834)
3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has role metabolite (CHEBI:25212)
3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) is a bile acid (CHEBI:3098)
3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) is a dihydroxy-5β-cholanic acid (CHEBI:23775)
IUPAC Name
(3α,5β,12α)-3,12-dihydroxychol-6-en-24-oic acid
Manual Xrefs Databases
C11637 KEGG COMPOUND
LMST04010220 LIPID MAPS
View more database links
Registry Number Type Source
2708531 Reaxys Registry Number Reaxys
Last Modified
28 July 2014