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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,6R)-6-hydroxy-3-isopropenylheptanoate
ChEBI ID CHEBI:64225
ChEBI ASCII Name (3R,6R)-6-hydroxy-3-isopropenylheptanoate
Definition An 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.
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/t8-,9-/m1/s1
InChIKey NQYDFAGFKCSWGI-RKDXNWHRSA-M
SMILES C[C@@H](O)CC[C@H](CC([O-])=O)C(C)=C
ChEBI Ontology
Outgoing (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 (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
Synonyms Sources
(3R,6R)-6-hydroxy-3-isopropenylheptanoate UniProt
(3R,6R)-6-hydroxy-3-isopropenylheptanoate(1−) ChEBI
Manual Xref Database
CPD-10047 MetaCyc
View more database links
Citation
van der Vlugt-Bergmans CJ, van der Werf MJ (2001)
Genetic and biochemical characterization of a novel monoterpene epsilon-lactone hydrolase from Rhodococcus erythropolis DCL14.
Applied and environmental microbiology 67, 733-741 (Source: SUBMITTER) [PubMed:11157238]
[show Abstract]
Last Modified
20 March 2012