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homocitric acid

PropertiesImage
MNX_IDMNXM1363996 Image of MNXM1363996
referencechebi:17852
formulaC7H10O7
global charge0
mol weight206.15
InChIKeyXKJVEVRQMLKSMO-UHFFFAOYSA-N
InChIInChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
SMILESO=C(O)CCC(O)(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7? Image of MNXM1363996
SMILES (mnx)[CH2:1]([CH2:2][C:7]([CH2:3][C:5](=[O:10])[OH:11])([C:6](=[O:12])[OH:13])[OH:14])[C:4](=[O:8])[OH:9]
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

CHEBI:17852
chebi:17852
XKJVEVRQMLKSMO-UHFFFAOYSA-N
homocitric acid
2-hydroxybutane-1,2,4-tricarboxylic acid
3-Hydroxy-3-carboxyadipic acid
Homocitric acid

sabiork.compound:2268
sabiorkM:2268
XKJVEVRQMLKSMO-UHFFFAOYSA-K
Homocitrate
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
2-Hydroxybutane-1,2,4-tricarboxylate
3-Hydroxy-3-carboxyadipic acid
Homocitric acid

CHEBI:36459
chebi:36459
XKJVEVRQMLKSMO-UHFFFAOYSA-N
homocitrate(1-)

CHEBI:36458
chebi:36458
XKJVEVRQMLKSMO-UHFFFAOYSA-N
homocitrate(2-)

CHEBI:36457
chebi:36457
XKJVEVRQMLKSMO-UHFFFAOYSA-K
homocitrate
2-Hydroxybutane-1,2,4-tricarboxylate
2-hydroxybutane-1,2,4-tricarboxylate
3-hydroxy-3-carboxyadipate
Homocitrate
homocitrate(3-)

chebi:1147
chebi:11593
chebi:24608
chebi:24609
secondary/obsolete/fantasy identifier