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(2R)-homocitrate

PropertiesImage
MNX_IDMNXM1363997 Image of MNXM1363997
referencechebi:58884
formulaC7H7O7
global charge-3
mol weight203.126
InChIKeyXKJVEVRQMLKSMO-SSDOTTSWSA-K
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)/p-3/t7-/m1/s1
SMILESO=C([O-])CC[C@@](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-/m1/s1 Image of MNXM1363997
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)6
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58884
chebi:58884
XKJVEVRQMLKSMO-SSDOTTSWSA-K 		(2R)-homocitrate
(2R)-2-hydroxybutane-1,2,4-tricarboxylate
(2R)-homocitrate(3-)
(R)-2-hydroxybutane-1,2,4-tricarboxylate

metacyc.compound:HOMO-CIT
metacycM:HOMO-CIT
XKJVEVRQMLKSMO-SSDOTTSWSA-K 		(2R)-homocitrate
(2R)-2-hydroxybutane-1,2,4-tricarboxylate
(R)-2-hydroxybutane-1,2,4-tricarboxylate
(R)-homocitrate
2-hydroxybutane-1,2,4-tricarboxylate
3-hydroxy-3-carboxyadipic acid
homocitrate
homocitric acid

CHEBI:52222
chebi:52222
XKJVEVRQMLKSMO-SSDOTTSWSA-N 		(2R)-homocitric acid
(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
(R)-2-hydroxybutane-1,2,4-tricarboxylic acid
(R)-homocitric acid
3-Hydroxy-3-carboxyadipic acid
Homocitrate
Homocitric acid

kegg.compound:C01251
keggC:C01251
XKJVEVRQMLKSMO-SSDOTTSWSA-N 		(R)-2-Hydroxybutane-1,2,4-tricarboxylate
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
3-Hydroxy-3-carboxyadipic acid
Homocitrate
Homocitric acid

seed.compound:cpd00919
seedM:cpd00919
XKJVEVRQMLKSMO-SSDOTTSWSA-K 		Homocitrate
(2R)-2-hydroxybutane-1,2,4-tricarboxylate
(2R)-homocitrate
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
(R)-2-Hydroxybutane-1,2,4-tricarboxylate
(R)-2-hydroxybutane-1,2,4-tricarboxylate
(R)-homocitrate
2-Hydroxybutane-1,2,4-tricarboxylate
2-hydroxybutane-1,2,4-tricarboxylate
3-Hydroxy-3-carboxyadipic acid
3-hydroxy-3-carboxyadipic acid
Homocitric acid
hcit
homocitrate
homocitric acid

vmhM:hcit
vmhmetabolite:hcit
XKJVEVRQMLKSMO-SSDOTTSWSA-K 		Homocitrate
(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid
hmdb:HMDB0003518
XKJVEVRQMLKSMO-SSDOTTSWSA-N 		Homocitric acid
(+/-)-homocitrate
(+/-)-homocitric acid
(2R)-2-Hydroxy-1,2,4-butanetricarboxylate
(2R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid
(R)-2-Hydroxy-1,2,4-butanetricarboxylate
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
(R)-2-Hydroxybutane-1,2,4-tricarboxylate
(R)-2-Hydroxybutane-1,2,4-tricarboxylic acid
(R)-Homocitrate
(R)-Homocitric acid
(R)-homocitric acid
2-Hydroxy-1,2,4-butanetricarboxylate
2-Hydroxy-1,2,4-butanetricarboxylic acid
2-Hydroxybutane-1,2,4-tricarboxylate
3-Hydroxy-3-carboxyadipate
3-Hydroxy-3-carboxyadipic acid
Homocitrate

hmdb:HMDB03518
keggC:M_C01251
seedM:M_cpd00919
vmhM:M_hcit 		secondary/obsolete/fantasy identifier