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CHEBI:229570 - subrutilene D

ChEBI IDCHEBI:229570
ChEBI Namesubrutilene D
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@@]12[C@@H](C(C)C)CC[C@@]1(C)CC[C@]1(C)C=C3[C@]([H])(C[C@]4(C)CCC[C@]34C)[C@@]21[H]
InChIInChI=1S/C25H40/c1-16(2)17-8-11-22(3)12-13-23(4)15-19-18(21(23)20(17)22)14-24(5)9-7-10-25(19,24)6/h15-18,20-21H,7-14H2,1-6H3/t17-,18+,20+,21+,22+,23-,24+,25-/m1/s1
InChIKeyGMTWRRXQCUNSHT-VFNVVQCZSA-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 D (CHEBI:229570) has role bacterial metabolite (CHEBI:76969)
subrutilene D (CHEBI:229570) is a carbopentacyclic compound (CHEBI:177356)
subrutilene D (CHEBI:229570) is a polycyclic olefin (CHEBI:35714)
subrutilene D (CHEBI:229570) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aS,5aS,6bS,9aS,10aR,10bS,10cS)-3a,5a,6b,9a-tetramethyl-1-(propan-2-yl)-1,2,3,3a,4,5,5a,6b,7,8,9,9a,10,10a,10b,10c-hexadecahydropentaleno[2,1-a]-as-indacene
Citations