CHEBI:82207 - (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
ChEBI ID CHEBI:82207
ChEBI ASCII Name (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
Definition A 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has S configuration at position 4.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H16O3
Net Charge 0
Average Mass 184.233
Monoisotopic Mass 184.10994
InChI InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m0/s1
InChIKey ZZVPZXLETLTSEB-PEHGTWAWSA-N
SMILES C=C([C@@H]1CC(OC(CC1)(C)O)=O)C
ChEBI Ontology
Outgoing (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207) is a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:64274)
Incoming (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) has functional parent (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
(4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138362) is a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138596) is a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
Synonym Source
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one KEGG COMPOUND
Manual Xrefs Databases
C19084 KEGG COMPOUND
CPD-10060 MetaCyc
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Last Modified
05 September 2017