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3-ethylmalate

PropertiesImage
MNX_IDMNXM4331 Image of MNXM4331
referencechebi:57425
formulaC6H8O5
global charge-2
mol weight160.125
InChIKeyJUCRENBZZQKFGK-UHFFFAOYSA-L
InChIInChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)/p-2
SMILESCCC(C(=O)[O-])C(O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)/t3?,4? Image of MNXM4331
SMILES (mnx)[CH3:1][CH2:2][CH:3]([CH:4]([C:6](=[O:10])[OH:11])[OH:7])[C:5](=[O:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57425
chebi:57425
JUCRENBZZQKFGK-UHFFFAOYSA-L 		3-ethylmalate
2-ethyl-3-hydroxybutanedioate
2-ethyl-3-hydroxysuccinate
3-ethylmalate(2-)

kegg.compound:C01989
keggC:C01989
vmhM:3ethmal
vmhmetabolite:3ethmal
JUCRENBZZQKFGK-UHFFFAOYSA-N 		3-Ethylmalate

seed.compound:cpd01362
seedM:cpd01362
JUCRENBZZQKFGK-UHFFFAOYSA-L 		3-Ethylmalate
3-ethylmalate

metacyc.compound:CPD-1130
metacycM:CPD-1130
JUCRENBZZQKFGK-UHFFFAOYSA-L 		3-ethylmalate

CHEBI:15591
chebi:15591
JUCRENBZZQKFGK-UHFFFAOYSA-N 		3-ethylmalic acid
2-ethyl-3-hydroxybutanedioic acid
3-Ethylmalate

chebi:11795
chebi:1501
chebi:20017
keggC:M_C01989
seedM:M_cpd01362
vmhM:M_3ethmal 		secondary/obsolete/fantasy identifier