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CHEBI:64225 - (3R,6R)-6-hydroxy-3-isopropenylheptanoate

ChEBI IDCHEBI:64225
ChEBI Name(3R,6R)-6-hydroxy-3-isopropenylheptanoate
Stars
ASCII Name(3R,6R)-6-hydroxy-3-isopropenylheptanoate
DefinitionAn optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4R,7R)-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@H](CC[C@@H](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/t8-,9-/m1/s1
InChIKeyNQYDFAGFKCSWGI-RKDXNWHRSA-M
ChEBI Ontology
Outgoing Relation(s)
(3R,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64225) is a 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224)
(3R,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64225) is conjugate base of (3R,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64247)
Incoming Relation(s)
(3R,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64247) is conjugate acid of (3R,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64225)
IUPAC Name 
(3R,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoate
Synonym  Source
(3R,6R)-6-hydroxy-3-isopropenylheptanoate(1−)ChEBI
UniProt Name  Source
(3R,6R)-6-hydroxy-3-isopropenylheptanoateUniProt
Manual XrefsDatabases
CPD-10047MetaCyc
Citations