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CHEBI:229567 - subrutilene A

ChEBI IDCHEBI:229567
ChEBI Namesubrutilene A
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@@]12CCC(=C)[C@]1(C)[C@@]1([H])C[C@@]3(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]3([H])[C@@]1([H])C2
InChIInChI=1S/C25H40/c1-15(2)18-9-10-23(4)11-12-24(5)14-20-19(22(24)21(18)23)13-17-8-7-16(3)25(17,20)6/h15,17-22H,3,7-14H2,1-2,4-6H3/t17-,18+,19-,20-,21-,22-,23-,24+,25-/m0/s1
InChIKeyAPRSBKDMGGZWSG-WJYKFRJXSA-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 A (CHEBI:229567) has role bacterial metabolite (CHEBI:76969)
subrutilene A (CHEBI:229567) is a carbopentacyclic compound (CHEBI:177356)
subrutilene A (CHEBI:229567) is a polycyclic olefin (CHEBI:35714)
subrutilene A (CHEBI:229567) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aS,5aR,6aS,6bS,9aS,10aS,10bS,10cS)-3a,5a,6b-trimethyl-7-methylidene-1-(propan-2-yl)octadecahydropentaleno[2,1-a]-as-indacene
Citations