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6-oxohexanoate

PropertiesImage
MNX_IDMNXM831 Image of MNXM831
referencechebi:18322
formulaC6H9O3
global charge-1
mol weight129.135
InChIKeyPNPPVRALIYXJBW-UHFFFAOYSA-M
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)/p-1
SMILESO=CCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9) Image of MNXM831
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:6](=[O:8])[OH:9])[CH2:3][CH:5]=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18322
chebi:18322
PNPPVRALIYXJBW-UHFFFAOYSA-M
6-oxohexanoate
adipate semialdehyde

envipath:...98540c3ab723
envipathM:...98540c3ab723
PNPPVRALIYXJBW-UHFFFAOYSA-M
6-Oxohexanoate

seed.compound:cpd03640
seedM:cpd03640
PNPPVRALIYXJBW-UHFFFAOYSA-M
6-Oxohexanoate
6-Oxohexanoic acid
6-ketohexanoate
6-ketohexanoic acid
6-oxohexanoate
6-oxohexanoic acid
Adipate semialdehyde
Hexan-1-one-6-carboxylate
adipate semialdehyde

vmhM:6ohxnt
vmhmetabolite:6ohxnt
PNPPVRALIYXJBW-UHFFFAOYSA-N
6-Oxohexanoate
6-oxohexanoic acid

sabiork.compound:2861
sabiorkM:2861
PNPPVRALIYXJBW-UHFFFAOYSA-M
6-Oxohexanoate
Adipate semialdehyde
Hexan-1-one-6-carboxylate

metacyc.compound:6-OXO-HEXANOATE
metacycM:6-OXO-HEXANOATE
PNPPVRALIYXJBW-UHFFFAOYSA-M
6-oxohexanoate
6-ketohexanoate
6-ketohexanoic acid
6-oxohexanoic acid
adipate semialdehyde

CHEBI:2490
chebi:2490
PNPPVRALIYXJBW-UHFFFAOYSA-N
6-oxohexanoic acid
1-hexanal-6-carboxylic acid
5-carbohydroxy-1-pentanal
5-formylvaleric acid
6-Oxohexanoic acid
6-hydroxy caproic acid
adipic acid monoaldehyde
adipic acid semialdehyde
adipic monoaldehyde
adipic semialdehyde
hmdb:HMDB0012882
PNPPVRALIYXJBW-UHFFFAOYSA-N
Adipate semialdehyde
1-Hexanal-6-carboxylate
1-Hexanal-6-carboxylic acid
5-Carbohydroxy-1-pentanal
5-Formylvalerate
5-Formylvaleric acid
6-Hydroxy caproate
6-Hydroxy caproic acid
6-Oxohexanoate
6-Oxohexanoic acid
6-oxohexanoic acid
Adipate monoaldehyde
Adipic acid monoaldehyde
Adipic acid semialdehyde
Adipic monoaldehyde
Adipic semialdehyde
Hexan-1-one-6-carboxylate
Hexan-1-one-6-carboxylic acid

kegg.compound:C06102
keggC:C06102
PNPPVRALIYXJBW-UHFFFAOYSA-N
Adipate semialdehyde
6-Oxohexanoate
6-Oxohexanoic acid
Hexan-1-one-6-carboxylate

envipath:...e35c3b60b263
envipathM:...e35c3b60b263
PNPPVRALIYXJBW-UHFFFAOYSA-M
compound 0049565

hmdb:HMDB12882
chebi:12226
chebi:20749
chebi:22265
keggC:M_C06102
seedM:M_cpd03640
vmhM:M_6ohxnt
secondary/obsolete/fantasy identifier