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CHEBI:89400 - stigmastanol

ChEBI IDCHEBI:89400
ChEBI Namestigmastanol
Stars
DefinitionA 3-hydroxy steroid that is 5α-stigmastane which is substituted at the 3β position by a hydroxy group.
Last Modified19 January 2016
DownloadsMolfile
FormulaC29H52O
Net Charge0
Average Mass416.734
Monoisotopic Mass416.40182
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)CC[C@@H](CC)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyLGJMUZUPVCAVPU-HRJGVYIJSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anticholesteremic drug  A substance used to lower plasma cholesterol levels.
ChEBI Ontology
Outgoing Relation(s)
stigmastanol (CHEBI:89400) has parent hydride 5α-stigmastane (CHEBI:20658)
stigmastanol (CHEBI:89400) has role anticholesteremic drug (CHEBI:35821)
stigmastanol (CHEBI:89400) has role plant metabolite (CHEBI:76924)
stigmastanol (CHEBI:89400) is a 3-hydroxy steroid (CHEBI:36834)
stigmastanol (CHEBI:89400) is a phytosterols (CHEBI:26125)
IUPAC Name 
(5α)-stigmastan-3β-ol
Synonyms  Source
5,6-dihydro-β-sitosterolChemIDplus
24α-ethylcholestanolChemIDplus
fucostanolChemIDplus
sitostanolChemIDplus
dihydrositosterinChemIDplus
(3β,5α,20S)-stigmastan-3-olIUPAC
Manual XrefsDatabases
HMDB0000494HMDB
StigmastanolWikipedia
CPD-8481MetaCyc
C00032163KNApSAcK
C19644KEGG COMPOUND
LMST01040128LIPID MAPS
Registry NumbersSources
CAS:83-45-4KEGG COMPOUND
CAS:83-45-4ChemIDplus
CAS:83-45-4NIST Chemistry WebBook
Citations