CHEBI:16577 - 3α,7α-dihydroxy-5β-cholestan-26-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α,7α-dihydroxy-5β-cholestan-26-oic acid
ChEBI ID CHEBI:16577
ChEBI ASCII Name 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Definition A cholestanoid that is 5β-cholestan-26-oic acid substituted by α-hydroxy groups at positions 3 and 7 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20232, CHEBI:11902, CHEBI:1707
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C27H46O4
Net Charge 0
Average Mass 434.65174
Monoisotopic Mass 434.33961
InChI InChI=1S/C27H46O4/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/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKey ITZYGDKGRKKBSN-HKFUITGCSA-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)CCCC(C)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) has role human metabolite (CHEBI:77746)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) has role mouse metabolite (CHEBI:75771)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) is a 3α-hydroxy steroid (CHEBI:36835)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) is a 7α-hydroxy steroid (CHEBI:36843)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) is a cholestanoid (CHEBI:50401)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) is a dihydroxy monocarboxylic acid (CHEBI:35972)
Incoming 3α,7α-dihydroxy-5β-cholestan-26-oyl-CoA (CHEBI:15494) has functional parent 3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467) is a 3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577)
IUPAC Name
3α,7α-dihydroxy-5β-cholestan-26-oic acid
Synonyms Sources
3alpha,7alpha-Dihydroxy-5beta-cholestanate KEGG COMPOUND
3α,7α-dihydroxy-5β-cholestanic acid ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestanoate KEGG COMPOUND
Manual Xrefs Databases
C04554 KEGG COMPOUND
LMST04030066 LIPID MAPS
View more database links
Registry Number Type Source
5384167 Reaxys Registry Number Reaxys
Last Modified
09 December 2024