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3-oxohexanoic acid

PropertiesImage
MNX_IDMNXM14628 Image of MNXM14628
referencechebi:28422
formulaC6H10O3
global charge0
mol weight130.143
InChIKeyBDCLDNALSPBWPQ-UHFFFAOYSA-N
InChIInChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
SMILESCCCC(=O)CC(=O)O
MNX internals
InChI (mnx)InChI=1/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9) Image of MNXM14628
SMILES (mnx)[CH3:1][CH2:2][CH2:3][C:5]([CH2:4][C:6](=[O:8])[OH:9])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28422
chebi:28422
BDCLDNALSPBWPQ-UHFFFAOYSA-N
3-oxohexanoic acid
3-Oxohexanoate
3-Oxohexanoic acid

seed.compound:cpd01435
seedM:cpd01435
BDCLDNALSPBWPQ-UHFFFAOYSA-M
3-Oxohexanoate
3-Oxohexanoic acid
3-ketohexanoate
3-oxohexanoate

kegg.compound:C02122
keggC:C02122
BDCLDNALSPBWPQ-UHFFFAOYSA-N
3-Oxohexanoic acid
3-Oxohexanoate
hmdb:HMDB0010717
BDCLDNALSPBWPQ-UHFFFAOYSA-N
3-Oxohexanoic acid
3-Oxohexanoate
3-oxohexanoic acid

lipidmaps:LMFA01060008
lipidmapsM:LMFA01060008
BDCLDNALSPBWPQ-UHFFFAOYSA-N
3-keto-n-caproic acid
3-oxo-hexanoic acid
FA 6:1
O

CHEBI:37030
chebi:37030
BDCLDNALSPBWPQ-UHFFFAOYSA-M
3-oxohexanoate
3-Oxohexanoate

metacyc.compound:CPD-7706
metacycM:CPD-7706
BDCLDNALSPBWPQ-UHFFFAOYSA-M
3-oxohexanoate
3-ketohexanoate

hmdb:HMDB10717
chebi:1640
chebi:20171
keggC:M_C02122
seedM:M_cpd01435
secondary/obsolete/fantasy identifier