CHEBI:64224 - 6-hydroxy-3-isopropenylheptanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-hydroxy-3-isopropenylheptanoate
ChEBI ID CHEBI:64224
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of 6-hydroxy-3-isopropenylheptanoic acid, arising from deprotonation of the carboxy group. Product of the hydrolysis of 4-isopropenyl-7-methyloxepan-2-one.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C10H17O3
Net Charge -1
Average Mass 185.24020
Monoisotopic Mass 185.11832
InChI InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1
InChIKey NQYDFAGFKCSWGI-UHFFFAOYSA-M
SMILES CC(O)CCC(CC([O-])=O)C(C)=C
ChEBI Ontology
Outgoing 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224) is a branched-chain fatty acid anion (CHEBI:58955)
6-hydroxy-3-isopropenylheptanoate (CHEBI:64224) is a hydroxy fatty acid anion (CHEBI:59835)
6-hydroxy-3-isopropenylheptanoate (CHEBI:64224) is conjugate base of 6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452)
Incoming (3R,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64225) is a 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224)
(3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) is a 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224)
6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452) is conjugate acid of 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224)
IUPAC Name
6-hydroxy-3-(prop-1-en-2-yl)heptanoate
Synonyms Sources
6-hydroxy-3-isopropenylheptanoate UniProt
6-hydroxy-3-isopropenylheptanoate(1−) ChEBI
Manual Xref Database
6-Hydroxy-3-isopropenylheptanoates MetaCyc
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Citation Type Source
11157238 PubMed citation SUBMITTER
Last Modified
20 March 2012