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CHEBI:64249 - (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid

ChEBI IDCHEBI:64249
ChEBI Name(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid
Stars
ASCII Name(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid
DefinitionAn optically active form of 6-hydroxy-3-isopropenylheptanoic acid having (3S,6R)-configuration.
Last Modified20 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
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)/t8-,9+/m1/s1
InChIKeyNQYDFAGFKCSWGI-BDAKNGLRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249) is a 6-hydroxy-3-isopropenylheptanoic acid (CHEBI:50452)
(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249) is conjugate acid of (3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226)
Incoming Relation(s)
(3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) is conjugate base of (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249)
IUPAC Name 
(3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid