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4-Methyl-3-oxoadipate

Properties

Image

Occurences in reactions

MNX_ID

MNXM8145

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₇H₁₀O₅

charge

mass

174.05282

reference

InChIKey

HKHNBKNLBZMXIV-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O5/c1-4(2-6(9)10)5(8)3-7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)

SMILES

CC(CC(=O)O)C(=O)CC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
envipath:...ac2f8e03c6e8 envipathM:...ac2f8e03c6e8 CHEBI:81663 chebi:81663 kegg.compound:C18312 keggC:C18312	4-Methyl-3-oxoadipate
seed.compound:cpd19578 seedM:cpd19578	4-Methyl-3-oxoadipate 4-methyl-3-ketoadipate 4-methyl-3-oxoadipate
metacyc.compound:CPD-10826 metacycM:CPD-10826	4-methyl-3-oxoadipate 4-methyl-3-ketoadipate
keggC:M_C18312 seedM:M_cpd19578	secondary/obsolete/fantasy identifier