CHEBI:67593 - stigmastane-3β,5α,6β-triol

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ChEBI Name stigmastane-3β,5α,6β-triol
ChEBI ASCII Name stigmastane-3beta,5alpha,6beta-triol
Definition A 3β-hydroxy steroid that is stigmastane substituted by hydroxy groups at positions 3, 5 and 6 (the 3β,5α,6β stereoisomer). It has been isolated from the roots of Breynia fruticosa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H52O3
Net Charge 0
Average Mass 448.72140
Monoisotopic Mass 448.39165
InChI InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Metabolite of Species Details
Breynia fruticosa (NCBI:txid296042) Found in root (BTO:0001188). 90% Methanolic extract of air-dried, crushed roots. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing stigmastane-3β,5α,6β-triol (CHEBI:67593) has parent hydride stigmastane (CHEBI:26773)
stigmastane-3β,5α,6β-triol (CHEBI:67593) has role metabolite (CHEBI:25212)
stigmastane-3β,5α,6β-triol (CHEBI:67593) has role plant metabolite (CHEBI:76924)
stigmastane-3β,5α,6β-triol (CHEBI:67593) is a 3β-hydroxy steroid (CHEBI:36836)
stigmastane-3β,5α,6β-triol (CHEBI:67593) is a 5α-hydroxy steroid (CHEBI:38194)
stigmastane-3β,5α,6β-triol (CHEBI:67593) is a 6β-hydroxy steroid (CHEBI:36851)
stigmastane-3β,5α,6β-triol (CHEBI:67593) is a triol (CHEBI:27136)
Synonyms Sources
5α,6β-dihydroxysitosterol ChEBI
sitostanetriol ChEBI
Registry Numbers Types Sources
20835-91-0 CAS Registry Number ChemIDplus
3216172 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21428418 PubMed citation Europe PMC
Last Modified
05 December 2013