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AKOS006378692

PropertiesImage
MNX_IDMNXM819718 Image of MNXM819718
referencechebi:185047
formulaC5H8O4
global charge0
mol weight132.115
InChIKeyVGRJIVGLOZEXGV-UHFFFAOYSA-N
InChIInChI=1S/C5H8O4/c1-3(2-6)4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)
SMILESCC(CO)C(=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C5H8O4/c1-3(2-6)4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)/t3? Image of MNXM819718
SMILES (mnx)[CH3:1][CH:3]([CH2:2][OH:6])[C:4]([C:5]([OH:8])=[O: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:185047
chebi:185047
VGRJIVGLOZEXGV-UHFFFAOYSA-N
AKOS006378692
4-hydroxy-3-methyl-2-oxobutanoic acid

sabiork.compound:30516
sabiorkM:30516
VGRJIVGLOZEXGV-UHFFFAOYSA-N
4-Hydroxy-3-methyl-2-oxobutanoic acid

envipath:...acd41ed8eb6f
envipathM:...acd41ed8eb6f
VGRJIVGLOZEXGV-UHFFFAOYSA-M
compound 0055948