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CHEBI:89519 - coprostanol

Default Structure
ChEBI IDCHEBI:89519
ChEBI Namecoprostanol
Stars
DefinitionA member of the class of phytosterols that is 5β-cholestane carrying a hydroxy substituent at the 3β-position.
Secondary ChEBI IDCHEBI:133639
Last Modified24 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC27H48O
Net Charge0
Average Mass388.680
Monoisotopic Mass388.37052
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyQYIXCDOBOSTCEI-NWKZBHTNSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (24029555)
Homo Sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (12092571)
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
coprostanol (CHEBI:89519) has parent hydride 5β-cholestane (CHEBI:35517)
coprostanol (CHEBI:89519) has role environmental contaminant (CHEBI:78298)
coprostanol (CHEBI:89519) has role human urinary metabolite (CHEBI:84087)
coprostanol (CHEBI:89519) has role plant metabolite (CHEBI:76924)
coprostanol (CHEBI:89519) is a 3-hydroxy steroid (CHEBI:36834)
coprostanol (CHEBI:89519) is a cholestanoid (CHEBI:50401)
coprostanol (CHEBI:89519) is a phytosterols (CHEBI:26125)
Incoming Relation(s)
24-ethylcoprostanol (CHEBI:133627) has functional parent coprostanol (CHEBI:89519)
IUPAC Name 
5β-cholestan-3β-ol
Synonyms  Source
(3β,5β)-cholestan-3-olIUPAC
5beta-cholestan-3beta-olHMDB
5beta CoprostanolHMDB
coprosterolChEBI
Manual XrefsDatabases
191826ChemSpider
CoprosterolWikipedia
HMDB0000577HMDB
LMST01010078LIPID MAPS
Registry NumbersSources
Reaxys:3207912Reaxys
CAS:360-68-9HMDB
Citations