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6-oxohexanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM831

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₆H₉O₃

charge

-1

mass

129.05572

reference

InChIKey

PNPPVRALIYXJBW-UHFFFAOYSA-M

InChI

InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)/p-1

SMILES

O=CCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18322 chebi:18322	6-oxohexanoate adipate semialdehyde
envipath:...98540c3ab723 envipathM:...98540c3ab723	6-Oxohexanoate
seed.compound:cpd03640 seedM:cpd03640	6-Oxohexanoate 6-Oxohexanoic acid 6-ketohexanoate 6-ketohexanoic acid 6-oxohexanoate 6-oxohexanoic acid Adipate semialdehyde Hexan-1-one-6-carboxylate adipate semialdehyde
sabiork.compound:2861 sabiorkM:2861	6-Oxohexanoate Adipate semialdehyde Hexan-1-one-6-carboxylate
metacyc.compound:6-OXO-HEXANOATE metacycM:6-OXO-HEXANOATE	6-oxohexanoate 6-ketohexanoate 6-ketohexanoic acid 6-oxohexanoic acid adipate semialdehyde
CHEBI:2490 chebi:2490	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	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	Adipate semialdehyde 6-Oxohexanoate 6-Oxohexanoic acid Hexan-1-one-6-carboxylate
hmdb:HMDB12882 chebi:12226 chebi:20749 chebi:22265 keggC:M_C06102 seedM:M_cpd03640	secondary/obsolete/fantasy identifier