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CHEBI:229568 - subrutilene B

ChEBI IDCHEBI:229568
ChEBI Namesubrutilene B
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)C(=CC[C@@H]3C)[C@@]1([H])C[C@@]1(C)CC[C@]3(C)CC[C@H](C(C)C)[C@@]3([H])[C@@]12[H]
InChIInChI=1S/C25H40/c1-15(2)17-9-10-23(4)11-12-24(5)13-18-19(22(24)21(17)23)14-25(6)16(3)7-8-20(18)25/h8,15-19,21-22H,7,9-14H2,1-6H3/t16-,17+,18-,19-,21-,22-,23-,24+,25+/m0/s1
InChIKeyDTTDWBQQAWRWJB-YVZQOFQOSA-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 B (CHEBI:229568) has role bacterial metabolite (CHEBI:76969)
subrutilene B (CHEBI:229568) is a carbopentacyclic compound (CHEBI:177356)
subrutilene B (CHEBI:229568) is a polycyclic olefin (CHEBI:35714)
subrutilene B (CHEBI:229568) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aS,5aR,6aS,9S,9aR,10aS,10bS,10cS)-3a,5a,9,9a-tetramethyl-1-(propan-2-yl)-1,2,3,3a,4,5,5a,6,6a,8,9,9a,10,10a,10b,10c-hexadecahydropentaleno[2,1-a]-as-indacene
Citations