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CHEBI:76591 - (25R)-cholest-5-ene-3β,26-diol

ChEBI IDCHEBI:76591
ChEBI Name(25R)-cholest-5-ene-3β,26-diol
Stars
ASCII Name(25R)-cholest-5-ene-3beta,26-diol
DefinitionA 26-hydroxycholesterol in which the 25-position has R-configuration.
Last Modified14 May 2024
SubmitterKAX
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC[C@@H](C)CO
InChIInChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyFYHRJWMENCALJY-YSQMORBQSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
EC 3.1.1.1 (carboxylesterase) inhibitor  Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
(25R)-cholest-5-ene-3β,26-diol (CHEBI:76591) has functional parent cholesterol (CHEBI:16113)
(25R)-cholest-5-ene-3β,26-diol (CHEBI:76591) has role apoptosis inducer (CHEBI:68495)
(25R)-cholest-5-ene-3β,26-diol (CHEBI:76591) has role human metabolite (CHEBI:77746)
(25R)-cholest-5-ene-3β,26-diol (CHEBI:76591) has role mouse metabolite (CHEBI:75771)
(25R)-cholest-5-ene-3β,26-diol (CHEBI:76591) has role neuroprotective agent (CHEBI:63726)
(25R)-cholest-5-ene-3β,26-diol (CHEBI:76591) is a 26-hydroxycholesterol (CHEBI:17703)
Incoming Relation(s)
(25R)-3β-hydroxycholest-5-en-26-al (CHEBI:86096) has functional parent (25R)-cholest-5-ene-3β,26-diol (CHEBI:76591)
IUPAC Name 
(3β,25R)-cholest-5-ene-3,26-diol
Synonyms  Source
Cholest-5-ene-3beta,27-diolChemIDplus
5-cholestene-3beta,27-diolChemIDplus
(25R)-Cholest-5-ene-3beta,26-diolChemIDplus
27-HydroxycholesterolChemIDplus
(25R)-26-hydroxycholesterolChEBI
(25R)-cholest-5-ene-3β,26-diolChEBI
UniProt Name  Source
(25R)-cholest-5-ene-3β,26-diolUniProt
Manual XrefsDatabases
HMDB0002103HMDB
CPD-7287MetaCyc
FDB022846FooDB
Registry NumbersSources
Reaxys:3161261Reaxys
CAS:20380-11-4ChemIDplus
Citations