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(2R)-homocitrate

MNXM722779 is deprecated and here replaced by MNXM1104627
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104627

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	7

formula

C₇H₇O₇

charge

-3

mass

203.02082

reference

chebi:58884

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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58884 chebi:58884	(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	(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	(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	(R)-2-Hydroxybutane-1,2,4-tricarboxylate (R)-2-Hydroxy-1,2,4-butanetricarboxylic acid 3-Hydroxy-3-carboxyadipic acid Homocitrate Homocitric acid
bigg.metabolite:hcit biggM:hcit	2 Hydroxybutane 1 2 4 tricarboxylate
seed.compound:cpd00919 seedM:cpd00919	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	Homocitrate (R)-2-Hydroxy-1,2,4-butanetricarboxylic acid 2-Hydroxybutane-1,2,4-tricarboxylate 3-Hydroxy-3-carboxyadipic acid Homocitric acid
hmdb:HMDB0003518	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
CHEBI:36457 chebi:36457	homocitrate 2-Hydroxybutane-1,2,4-tricarboxylate 2-hydroxybutane-1,2,4-tricarboxylate 3-hydroxy-3-carboxyadipate Homocitrate homocitrate(3-)
CHEBI:17852 chebi:17852	homocitric acid 2-hydroxybutane-1,2,4-tricarboxylic acid 3-Hydroxy-3-carboxyadipic acid Homocitric acid
hmdb:HMDB03518 chebi:1147 chebi:11593 chebi:24608 chebi:24609 biggM:M_hcit keggC:M_C01251 seedM:M_cpd00919	secondary/obsolete/fantasy identifier