CHEBI:89519 - coprostanol

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ChEBI Name coprostanol
ChEBI ID CHEBI:89519
Definition A member of the class of phytosterols that is 5β-cholestane carrying a hydroxy substituent at the 3β-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:133639
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Formula C27H48O
Net Charge 0
Average Mass 388.670
Monoisotopic Mass 388.37052
InChI InChI=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
InChIKey QYIXCDOBOSTCEI-NWKZBHTNSA-N
SMILES [C@]1([C@@H](CCCC(C)C)C)([C@]2(CC[C@@]3([C@]4(CC[C@@H](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])O)C)[H])C)[H]
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo Sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 24-ethylcoprostanol (CHEBI:133627) has functional parent coprostanol (CHEBI:89519)
IUPAC Name
5β-cholestan-3β-ol
Synonyms Sources
(3β,5β)-cholestan-3-ol IUPAC
5beta Coprostanol HMDB
5beta-cholestan-3beta-ol HMDB
coprosterol ChEBI
Manual Xrefs Databases
191826 ChemSpider
Coprosterol Wikipedia
HMDB0000577 HMDB
LMST01010078 LIPID MAPS
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Registry Numbers Types Sources
3207912 Reaxys Registry Number Reaxys
360-68-9 CAS Registry Number HMDB
Citations Waiting for Citations Types Sources
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Last Modified
24 March 2017