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CHEBI:64224 - 6-hydroxy-3-isopropenylheptanoate

ChEBI IDCHEBI:64224
ChEBI Name6-hydroxy-3-isopropenylheptanoate
Stars
DefinitionA 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.
Last Modified20 March 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H17O3
Net Charge-1
Average Mass185.243
Monoisotopic Mass185.11832
SMILESC=C(C)C(CCC(C)O)CC(=O)[O-]
InChIInChI=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
InChIKeyNQYDFAGFKCSWGI-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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
Synonym  Source
6-hydroxy-3-isopropenylheptanoate(1−)ChEBI
UniProt Name  Source
6-hydroxy-3-isopropenylheptanoateUniProt
Manual XrefsDatabases
6-Hydroxy-3-isopropenylheptanoatesMetaCyc
Citations