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(3S,6R)-6-hydroxy-3-isopropenylheptanoate

PropertiesImage
MNX_IDMNXM2891 Image of MNXM2891
referencechebi:64226
formulaC10H17O3
global charge-1
mol weight185.243
InChIKeyNQYDFAGFKCSWGI-BDAKNGLRSA-M
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
SMILESC=C(C)[C@@H](CC[C@@H](C)O)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM2891
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[C@@H:9]([CH2:5][CH2:4][C@@H:8]([CH3:3])[OH:11])[CH2:6][C:10](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64226
chebi:64226
NQYDFAGFKCSWGI-BDAKNGLRSA-M 		(3S,6R)-6-hydroxy-3-isopropenylheptanoate
(3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoate
(3S,6R)-6-hydroxy-3-isopropenylheptanoate(1-)

seed.compound:cpd08271
seedM:cpd08271
CHEBI:214
chebi:214
kegg.compound:C11417
keggC:C11417
NQYDFAGFKCSWGI-GKAPJAKFSA-M
NQYDFAGFKCSWGI-GKAPJAKFSA-N 		(3S)-6-Hydroxy-3-isopropenyl-heptanoate
6-Hydroxy-3-isopropenylheptanoate

metacyc.compound:CPD-10065
metacycM:CPD-10065
seed.compound:cpd22540
seedM:cpd22540
NQYDFAGFKCSWGI-BDAKNGLRSA-M 		(3S,6R)-6-hydroxy-3-isopropenyl-heptanoate

CHEBI:64249
chebi:64249
NQYDFAGFKCSWGI-BDAKNGLRSA-N 		(3S,6R)-6-hydroxy-3-isopropenylheptanoic acid
(3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid

keggC:M_C11417
seedM:M_cpd08271
seedM:M_cpd22540 		secondary/obsolete/fantasy identifier