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CHEBI:229572 - subrutilene E

Default Structure
ChEBI IDCHEBI:229572
ChEBI Namesubrutilene E
Stars
DefinitionA sesterterpene produced in the bacterium Streptomyces subrutilus.
Last Modified12 February 2024
SubmitterMartin Engst
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@]12C[C@]3(C)CCC[C@@]1(C[C@@]1(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@@]12[H])C3=C
InChIInChI=1S/C25H40/c1-16(2)18-8-11-22(4)12-13-24(6)15-25-10-7-9-23(5,17(25)3)14-19(25)21(24)20(18)22/h16,18-21H,3,7-15H2,1-2,4-6H3/t18-,19-,20+,21+,22+,23+,24-,25-/m1/s1
InChIKeyWLFJFCZNOFNLLM-SHVKVPGMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces subrutilus (ncbitaxon:36818) - PubMed (37846897)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
subrutilene E (CHEBI:229572) has role bacterial metabolite (CHEBI:76969)
subrutilene E (CHEBI:229572) is a carbopentacyclic compound (CHEBI:177356)
subrutilene E (CHEBI:229572) is a polycyclic olefin (CHEBI:35714)
subrutilene E (CHEBI:229572) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aS,5aR,6aS,10S,11aR,11bS,11cS)-3a,5a,10-trimethyl-12-methylidene-1-(propan-2-yl)hexadecahydro-6a,10-methanocyclohepta[a]-as-indacene
Citations