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CHEBI:167518 - quiannulatene

ChEBI IDCHEBI:167518
ChEBI Namequiannulatene
Stars
DefinitionA sesterterpene that is produced by the heterologous expression of sesterterpene synthase EvQS from Aspergillus stellatus.
Last Modified25 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@]12C[C@]3([H])[C@H](C(C)C)CC[C@@]3(C)CC1=C(C)[C@]1(C)CC[C@@]3([H])[C@H](C)CC[C@@]213
InChIInChI=1S/C25H40/c1-15(2)18-8-10-23(5)14-19-17(4)24(6)11-9-20-16(3)7-12-25(20,24)22(19)13-21(18)23/h15-16,18,20-22H,7-14H2,1-6H3/t16-,18+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKeyKZVSASHATZZHHJ-SBISLLLRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - PubMed (27447198) Strain: NBRC 32302
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
quiannulatene (CHEBI:167518) has role Aspergillus metabolite (CHEBI:76956)
quiannulatene (CHEBI:167518) has role fungal metabolite (CHEBI:76946)
quiannulatene (CHEBI:167518) is a polycyclic olefin (CHEBI:35714)
quiannulatene (CHEBI:167518) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(3R,3aS,5aR,7aS,10S,10aR,11aS,11bR)-3,5a,6,7a-tetramethyl-10-(propan-2-yl)-2,3,3a,4,5,5a,7,7a,8,9,10,10a,11,11a-tetradecahydro-1H-pentaleno[6a,1-a]-s-indacene
Synonym  Source
(+)-quiannulateneChEBI
UniProt Name  Source
quiannulateneUniProt
Citations