CHEBI:69434 - stigmasterol 3-O-acetate

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ChEBI Name stigmasterol 3-O-acetate
ChEBI ID CHEBI:69434
ChEBI ASCII Name stigmasterol 3-O-acetate
Definition A steroid ester obtained by the formal condensation of the hydroxy group of phytosterol with acetic acid. It has been obtained from the mycelia of Cordyceps sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
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Download Molfile XML SDF
Formula C31H50O2
Net Charge 0
Average Mass 454.72750
Monoisotopic Mass 454.38108
InChI InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey IZEUIYYDWBKERE-ZRODXFKISA-N
SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
Metabolite of Species Details
Cordyceps sinensis (NCBI:txid72228) Found in mycelium (BTO:0001436). EtOH extract of dried mycelia, mixture of beta-sitosterol 3-O-acetate and stigmasterol 3-O-acetate See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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 stigmasterol 3-O-acetate (CHEBI:69434) has functional parent stigmasterol (CHEBI:28824)
stigmasterol 3-O-acetate (CHEBI:69434) has parent hydride stigmastane (CHEBI:26773)
stigmasterol 3-O-acetate (CHEBI:69434) has role fungal metabolite (CHEBI:76946)
stigmasterol 3-O-acetate (CHEBI:69434) has role plant metabolite (CHEBI:76924)
stigmasterol 3-O-acetate (CHEBI:69434) is a acetate ester (CHEBI:47622)
stigmasterol 3-O-acetate (CHEBI:69434) is a steroid ester (CHEBI:47880)
IUPAC Name
(22E)-stigmasta-5,22-dien-3β-yl acetate
Synonyms Sources
StigAc ChEBI
stigmasterol acetate ChemIDplus
Registry Numbers Types Sources
2570673 Reaxys Registry Number Reaxys
4651-48-3 CAS Registry Number ChemIDplus
Citations
Last Modified
14 January 2014