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CHEBI:155910 - aculene D

ChEBI IDCHEBI:155910
ChEBI Nameaculene D
Stars
DefinitionA sesquiterpenoid that is (3aR)-4,7,8,8a-tetrahydroazulen-1(3aH)-one substituted by an ethyl, methyl, hydroxy and methyl groups at positions 3, 6, 8S, and 8aR, respectively. It is a fungal metabolite isolated from Penicillium sp. SCS-KFD08 and Aspergillus aculeatus.
Last Modified3 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILES[H][C@]12CC=C(C)C[C@H](O)[C@]1(C)C(=O)C=C2CC
InChIInChI=1S/C14H20O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5,8,11-12,15H,4,6-7H2,1-3H3/t11-,12+,14-/m1/s1
InChIKeyIIQOUDJDCRTCJY-MBNYWOFBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) cell suspension culture (BTO:0000221) PubMed (25068785)
Penicillium sp. SCS-KFD08 (ncbitaxon:1808020) cell suspension culture (BTO:0000221) PubMed (27709333)
Roles Classification
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
aculene D (CHEBI:155910) has role Aspergillus metabolite (CHEBI:76956)
aculene D (CHEBI:155910) has role Penicillium metabolite (CHEBI:76964)
aculene D (CHEBI:155910) has role marine metabolite (CHEBI:76507)
aculene D (CHEBI:155910) is a carbobicyclic compound (CHEBI:36785)
aculene D (CHEBI:155910) is a secondary alcohol (CHEBI:35681)
aculene D (CHEBI:155910) is a sesquiterpenoid (CHEBI:26658)
Incoming Relation(s)
aculene B (CHEBI:156056) has functional parent aculene D (CHEBI:155910)
IUPAC Name 
(3aR,8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-4,7,8,8a-tetrahydroazulen-1(3aH)-one
UniProt Name  Source
aculene DUniProt
Citations