**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(2R)-homocitrate(3-)

Properties Image MNX_ID MNXM1583881 reference chebi:58884 formula C7H7O7 global charge -3 mol weight 203.126 InChIKey XKJVEVRQMLKSMO-SSDOTTSWSA-K InChI InChI=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 SMILES O=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 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) 5

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58884 chebi:58884 XKJVEVRQMLKSMO-SSDOTTSWSA-K	(2R)-homocitrate(3-) (2R)-2-hydroxybutane-1,2,4-tricarboxylate (2R)-homocitrate (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
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
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
vmhM:hcit vmhM:hcit vmhmetabolite:hcit vmhmetabolite:hcit XKJVEVRQMLKSMO-SSDOTTSWSA-K	hcit
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(3-) 2-Hydroxybutane-1,2,4-tricarboxylate 2-hydroxybutane-1,2,4-tricarboxylate 3-hydroxy-3-carboxyadipate Homocitrate homocitrate
hmdb:HMDB03518 chebi:11593 chebi:24608 keggC:M_C01251 seedM:M_cpd00919 vmhM:M_hcit	secondary/obsolete/fantasy identifier