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CHEBI:89519 - coprostanol

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:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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