CHEBI:189069 - preterpestacin I

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ChEBI Name preterpestacin I
ChEBI ID CHEBI:189069
Definition A sesterterpenoid that has been characterized as the product of Bipolaris maydis BmTS3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Tereza Calounova
Supplier Information
Download Molfile XML SDF
Formula C25H42O
Net Charge 0
Average Mass 358.610
Monoisotopic Mass 358.32357
InChI InChI=1S/C25H42O/c1-18(2)22-15-17-25(6)16-14-20(4)9-7-8-19(3)10-13-24(26)21(5)11-12-23(22)25/h8,11,14,18,22-24,26H,7,9-10,12-13,15-17H2,1-6H3/b19-8+,20-14+,21-11+/t22-,23+,24-,25+/m0/s1
InChIKey MGRJONRALKLFBS-YBSCOXHPSA-N
SMILES [H][C@]12C\C=C(C)\[C@@H](O)CC\C(C)=C\CC\C(C)=C\C[C@]1(C)CC[C@H]2C(C)C
Metabolite of Species Details
Bipolaris maydis (NCBI:txid5016) of strain BmTS3 See: DOI
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing preterpestacin I (CHEBI:189069) has role fungal metabolite (CHEBI:76946)
preterpestacin I (CHEBI:189069) is a carbobicyclic compound (CHEBI:36785)
preterpestacin I (CHEBI:189069) is a secondary allylic alcohol (CHEBI:134396)
preterpestacin I (CHEBI:189069) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
(3S,3aR,5E,7S,10E,14E,16aS)-6,10,14,16a-tetramethyl-3-(propan-2-yl)-1,2,3,3a,4,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulen-7-ol
Citations Waiting for Citations Types Sources
29417814 PubMed citation SUBMITTER
34155529 PubMed citation Europe PMC
34357940 PubMed citation Europe PMC
Last Modified
24 January 2022