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2,4,6-trioxoheptanoate

MNXM9759 is deprecated and here replaced by MNXM1372605
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372605 Image of MNXM1372605
referencechebi:19338
formulaC7H7O5
global charge-1
mol weight171.128
InChIKeyVAKFRAZWNDUNDE-UHFFFAOYSA-M
InChIInChI=1S/C7H8O5/c1-4(8)2-5(9)3-6(10)7(11)12/h2-3H2,1H3,(H,11,12)/p-1
SMILESCC(=O)CC(=O)CC(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H8O5/c1-4(8)2-5(9)3-6(10)7(11)12/h2-3H2,1H3,(H,11,12) Image of MNXM1372605
SMILES (mnx)[CH3:1][C:4]([CH2:2][C:5]([CH2:3][C:6]([C:7]([OH:11])=[O:12])=[O:10])=[O:9])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-617
metacycM:CPD-617
CHEBI:19338
chebi:19338
VAKFRAZWNDUNDE-UHFFFAOYSA-M 		2,4,6-trioxoheptanoate

envipath:...1d5a31e256ef
envipathM:...1d5a31e256ef
VAKFRAZWNDUNDE-UHFFFAOYSA-M 		2,4,6-Trioxoheptanoate

CHEBI:36554
chebi:36554
VAKFRAZWNDUNDE-UHFFFAOYSA-N 		2,4,6-trioxoheptanoic acid

envipath:...a790079ba586
envipathM:...a790079ba586
VAKFRAZWNDUNDE-UHFFFAOYSA-M 		compound 0001527