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CHEBI:64226 - (3S,6R)-6-hydroxy-3-isopropenylheptanoate

ChEBI IDCHEBI:64226
ChEBI Name(3S,6R)-6-hydroxy-3-isopropenylheptanoate
Stars
ASCII Name(3S,6R)-6-hydroxy-3-isopropenylheptanoate
DefinitionAn optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4S,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-BDAKNGLRSA-M
ChEBI Ontology
Outgoing Relation(s)
(3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) is a 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224)
(3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) is conjugate base of (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249)
Incoming Relation(s)
(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249) is conjugate acid of (3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226)
IUPAC Name 
(3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoate
Synonym  Source
(3S,6R)-6-hydroxy-3-isopropenylheptanoate(1−)ChEBI
UniProt Name  Source
(3S,6R)-6-hydroxy-3-isopropenylheptanoateUniProt
Manual XrefsDatabases
CPD-10065MetaCyc
Citations