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CHEBI:228363 - subrutilane

ChEBI IDCHEBI:228363
ChEBI Namesubrutilane
Stars
DefinitionA sesterterpene produced by subrutilane synthase from the bacterium Streptomyces subrutilus.
Last Modified2 January 2024
SubmitterMilana99
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@]12C[C@@]1([H])[C@]1(C)[C@@]3([H])C[C@@]4(C)CC[C@]5(C)CC[C@H](C(C)C)[C@@]5([H])[C@]4([H])[C@@]3([H])C[C@]21C
InChIInChI=1S/C25H40/c1-14(2)15-7-8-22(3)9-10-23(4)13-19-16(21(23)20(15)22)12-24(5)17-11-18(17)25(19,24)6/h14-21H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1
InChIKeyMANXCPMBJHNYLY-AZGYBJRYSA-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)
subrutilane (CHEBI:228363) has role bacterial metabolite (CHEBI:76969)
subrutilane (CHEBI:228363) is a carbopolycyclic compound (CHEBI:35294)
subrutilane (CHEBI:228363) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aS,5aR,6aS,6bS,6cR,7aS,7bR,8aS,8bS,8cS)-3a,5a,6b,7b-tetramethyl-1-(propan-2-yl)octadecahydrocyclopropa[3',4']cyclobuta[1',2':3,4]cyclopenta[1,2-a]-as-indacene
Citations