CHEBI:89400 - stigmastanol

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ChEBI Name stigmastanol
ChEBI ID CHEBI:89400
Definition A 3-hydroxy steroid that is 5α-stigmastane which is substituted at the 3β position by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H52O
Net Charge 0
Average Mass 416.724
Monoisotopic Mass 416.40182
InChI InChI=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
InChIKey LGJMUZUPVCAVPU-HRJGVYIJSA-N
SMILES [C@@]12(CC[C@@H](C[C@@]1(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@](CC[C@H](C(C)C)CC)(C)[H])[H])[H])C)[H])[H])[H])O)C
Roles Classification
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.
Application(s): anticholesteremic drug
A substance used to lower plasma cholesterol levels.
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ChEBI Ontology
Outgoing 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 Sources
(3β,5α)-stigmastan-3-ol IUPAC
(3β,5α,20S)-stigmastan-3-ol IUPAC
24α-ethylcholestanol ChemIDplus
5,6-dihydro-β-sitosterol ChemIDplus
dihydrositosterin ChemIDplus
fucostanol ChemIDplus
sitostanol ChemIDplus
Manual Xrefs Databases
C00032163 KNApSAcK
C19644 KEGG COMPOUND
CPD-8481 MetaCyc
HMDB0000494 HMDB
LMST01040128 LIPID MAPS
Stigmastanol Wikipedia
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Registry Numbers Types Sources
83-45-4 CAS Registry Number KEGG COMPOUND
83-45-4 CAS Registry Number NIST Chemistry WebBook
83-45-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10517218 PubMed citation Europe PMC
10539742 PubMed citation Europe PMC
11060358 PubMed citation Europe PMC
16331855 PubMed citation Europe PMC
16487675 PubMed citation Europe PMC
1730022 PubMed citation Europe PMC
Last Modified
19 January 2016