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(3R)-3-isopropenyl-6-oxoheptanoate

PropertiesImage
MNX_IDMNXM3124 Image of MNXM3124
referencechebi:29001
formulaC10H15O3
global charge-1
mol weight183.227
InChIKeyNJOIWWRMLFSDTM-SECBINFHSA-M
InChIInChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/p-1/t9-/m1/s1
SMILESC=C(C)[C@H](CCC(C)=O)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m1/s1 Image of MNXM3124
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[C@H:9]([CH2:5][CH2:4][C:8]([CH3:3])=[O:11])[CH2:6][C:10](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29001
chebi:29001
NJOIWWRMLFSDTM-SECBINFHSA-M
(3R)-3-isopropenyl-6-oxoheptanoate
(3R)-3-Isopropenyl-6-oxoheptanoate
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoate
(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoate

envipath:...11efdd4590cd
envipathM:...11efdd4590cd
vmhM:3ip6ohnt
vmhmetabolite:3ip6ohnt
NJOIWWRMLFSDTM-SECBINFHSA-M
(3R)-3-Isopropenyl-6-oxoheptanoate

kegg.compound:C11405
keggC:C11405
NJOIWWRMLFSDTM-SECBINFHSA-N
(3R)-3-Isopropenyl-6-oxoheptanoate
(3R)-3-Isopropenyl-6-oxoheptanoic acid

seed.compound:cpd08259
seedM:cpd08259
NJOIWWRMLFSDTM-SECBINFHSA-M
(3R)-3-Isopropenyl-6-oxoheptanoate
(3R)-3-Isopropenyl-6-oxoheptanoic acid
(3R)-3-isopropenyl-6-oxoheptanoate

metacyc.compound:CPD-10053
metacycM:CPD-10053
NJOIWWRMLFSDTM-SECBINFHSA-M
(3R)-3-isopropenyl-6-oxoheptanoate

CHEBI:37287
chebi:37287
NJOIWWRMLFSDTM-SECBINFHSA-N
(3R)-3-isopropenyl-6-oxoheptanoic acid
(3R)-3-Isopropenyl-6-oxoheptanoic acid
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoic acid
(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoic acid

lipidmaps:LMFA01060179
lipidmapsM:LMFA01060179
NJOIWWRMLFSDTM-SECBINFHSA-N
(3R)-3-isopropenyl-6-oxoheptanoic acid
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoic acid
6-oxo-3R-(prop-1-en-2-yl)heptanoic acid
FA 10:2
O

chebi:18560
chebi:202
keggC:M_C11405
seedM:M_cpd08259
vmhM:M_3ip6ohnt
secondary/obsolete/fantasy identifier