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CHEBI:172939 - astellifadiene

ChEBI IDCHEBI:172939
ChEBI Nameastellifadiene
Stars
DefinitionA sesterterpene with formula C25H40 that is produced by a terpene synthase gene from Emericella variecolor NBRC 32302 which is heterologously expressed in Aspergillus oryzae NSAR1.
Last Modified3 January 2024
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@]12C[C@](C)(C/C=C3\[C@](C)(CC[C@]4(C)CC[C@H](C(=C)C)[C@@]34[H])C1)CC[C@@H]2C
InChIInChI=1S/C25H40/c1-17(2)20-8-12-24(5)13-14-25(6)16-19-15-23(4,10-7-18(19)3)11-9-21(25)22(20)24/h9,18-20,22H,1,7-8,10-16H2,2-6H3/b21-9-/t18-,19-,20+,22-,23-,24-,25+/m0/s1
InChIKeyPKKHDWUOTCTVFH-UWLZFXEESA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (27038368) Strain: NSAR1
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
astellifadiene (CHEBI:172939) has role Aspergillus metabolite (CHEBI:76956)
astellifadiene (CHEBI:172939) is a polycyclic olefin (CHEBI:35714)
astellifadiene (CHEBI:172939) is a sesterterpene (CHEBI:35192)
IUPAC Name 
[1S,3aS,5aR,7S,8S,11R,13(13a)Z,13bR]-3a,5a,8,11-tetramethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9,10,11,12,13b-tetradecahydro-1H-7,11-methanocyclodeca[e]indene
UniProt Name  Source
astellifadieneUniProt
Citations