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(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate

MNXM731525 is deprecated and replaced by MNXM1104204

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104204

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	6

formula

C₇H₇O₇

charge

-3

mass

203.02082

reference

chebi:57429

InChIKey

HHKPKXCSHMJWCF-WVBDSBKLSA-K

InChI

InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,7-/m1/s1

SMILES

C[C@](O)(C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57429 chebi:57429	(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate (1R,2S)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate
metacyc.compound:CPD-618 metacycM:CPD-618	(2R,3S)-2-methylisocitrate (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate methylisocitrate methylisocitric acid threo-Ds-2-methylisocitrate
sabiork.compound:7424 sabiorkM:7424	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate DL-Threo-2-methylisocitrate Methylisocitrate Methylisocitric acid
kegg.compound:C04593 keggC:C04593	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate Methylisocitrate Methylisocitric acid
CHEBI:15607 chebi:15607	(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate 3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid Methylisocitric acid
lipidmaps:LMFA01050444 lipidmapsM:LMFA01050444	(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid FA 7:2 O5
CHEBI:141790 chebi:141790	3-hydroxybutane-1,2,3-tricarboxylate 1-hydroxy-1-methylpropane-1,2,3-tricarboxylate
CHEBI:142525 chebi:142525	3-hydroxybutane-1,2,3-tricarboxylic acid 3-carboxy-2,3-dideoxy-4-C-methylpentaric acid alpha-methylisocitric acid
bigg.metabolite:micit biggM:micit	Methylisocitrate
seed.compound:cpd02799 seedM:cpd02799	Methylisocitrate (2R,3S)-2-methylisocitrate (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate Methylisocitric acid methylisocitrate methylisocitric acid micit threo-Ds-2-methylisocitrate
hmdb:HMDB0006471	Methylisocitric acid (2R,3S)2-Methylisocitrate (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate 1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid 3-Carboxy-2,3-dideoxy-4-C-methylpentarate 3-Carboxy-2,3-dideoxy-4-C-methylpentaric acid 3-Hydroxy-1,2,3-butanetricarboxylate 3-Hydroxy-1,2,3-butanetricarboxylic acid 3-Hydroxybutane-1,2,3-tricarboxylic acid D.L-methylisocitrate DL-Methylisocitric acid DL-Threo-alpha-methylisocitrate Methylisocitrate Threo-alpha-methylisocitrate Threo-alpha-methylisocitrate, (3)H-labeled a-Methylisocitrate a-Methylisocitric acid alpha-Methylisocitrate alpha-Methylisocitric acid alpha-methylisocitrate alpha-methylisocitric acid
hmdb:HMDB06471 chebi:10869 chebi:145554 chebi:18550 chebi:189 chebi:43909 biggM:M_micit keggC:M_C04593 seedM:M_cpd02799	secondary/obsolete/fantasy identifier