(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone (BioCAD00000000551)

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Metabolite Card

Chinese Name: (3S,6S)-6-异丙烯基-3-甲基-2-氧代氧杂环庚酮
Formula: C10H16O2 (168.115)
SMILES: 

C[C@H]1CC[C@@H](COC1=O)C(C)=C

Synonyms [en]

(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone; (3S,6R)-3-methyl-6-(prop-1-en-2-yl)oxepan-2-one; (3S,6S)-6-isopropenyl-3-methyl-oxo-oxepanone; (3S,6R)-6-isopropenyl-3-methyloxepan-2-one; (3S,6S)-6-isopropenyl-3-methyloxepan-2-one; (3S,6R)-3-methyl-6-prop-1-en-2-yloxepan-2-one

Reviewed

Last reviewed on 2026-04-16.

Cite this Page

(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/3S,6S_6-Isopropenyl-3-methyl-2-oxo-oxepanone (retrieved 2026-08-20) (CAD Registry RN: BioCAD00000000551). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

An optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6R)-configuration." []

Entity Information

DBLinks

Other DBLinks
  • PubChem: 443187
  • ChEBI: ChEBI:64232
  • KEGG: C11418
  • BioCyc: CPD-10069
  • Metlin: METLIN_64060
  • metaboanalyst: 8e74b11f58c9c852946db240c0ac64ae

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R06389 1.14.13.105 NADPH:oxygen oxidoreductase
KEGG:R06393 3.1.1.83 monoterpene epsilon-lactone hydrolase
Rhea:RHEA:52829 1.14.13.105 (1S,4R)-isodihydrocarvone + NADPH + O2 + H+ => (3S,6R)-6-isopropenyl-3-methyloxepan-2-one + NADP+ + H2O
Rhea:RHEA:52830 1.14.13.105 (3S,6R)-6-isopropenyl-3-methyloxepan-2-one + NADP+ + H2O => (1S,4R)-isodihydrocarvone + NADPH + O2 + H+
Rhea:RHEA:52831 1.14.13.105 (1S,4R)-isodihydrocarvone + NADPH + O2 + H+ <=> (3S,6R)-6-isopropenyl-3-methyloxepan-2-one + NADP+ + H2O
BioCyc:RXN-9431 1.14.13.105 CPD-10041 + OXYGEN-MOLECULE + NADPH + PROTON --> CPD-10069 + WATER + NADP
BioCyc:RXN-9432 3.1.1.83 CPD-10069 + WATER --> CPD-10072 + PROTON
Rhea:RHEA:52828 [52828] (1S,4R)-isodihydrocarvone + NADPH + O2 + H(+) = (3S,6R)-6-isopropenyl-3-methyloxepan-2-one + NADP(+) + H2O
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Mass Spectrum
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
BioCyc:META_PWY-5927 (4S)-carveol and (4S)-dihydrocarveol degradation
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