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isocitrate(3-)

Properties

Image

Occurences in reactions

MNX_ID

MNXM89661

	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	37

formula

C₆H₅O₇

charge

-3

mass

189.00517

reference

chebi:16087

InChIKey

ODBLHEXUDAPZAU-UHFFFAOYSA-K

InChI

InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16087 chebi:16087	isocitrate(3-) 1-hydroxypropane-1,2,3-tricarboxylate 1-hydroxytricarballylate 3-carboxylato-2,3-dideoxypentarate
bigg.metabolite:icit biggM:icit	Isocitrate
sabiork.compound:2013 sabiorkM:2013 kegg.compound:C00311 keggC:C00311	Isocitrate 1-Hydroxypropane-1,2,3-tricarboxylic acid 1-Hydroxytricarballylic acid Isocitric acid
seed.compound:cpd00260 seedM:cpd00260	Isocitrate 1-Hydroxypropane-1,2,3-tricarboxylic acid 1-Hydroxytricarballylic acid Isocitric acid icit
hmdb:HMDB0000193	Isocitric acid 1-Hydroxy-1,2,3-propanetricarboxylate 1-Hydroxy-1,2,3-propanetricarboxylic acid 1-Hydroxypropane-1,2,3-tricarboxylate 1-Hydroxypropane-1,2,3-tricarboxylic acid 1-Hydroxytricarballylate 1-Hydroxytricarballylic acid 1-hydroxypropane-1,2,3-tricarboxylic acid 3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylate 3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid 3-Carboxy-2,3-dideoxy-pentarate 3-Carboxy-2,3-dideoxy-pentaric acid D-Isocitrate I-cit Isocitrate Isocitric acid, (11)C-labeled Isocitric acid, calcium salt Isocitric acid, disodium salt Isocitric acid, potassium salt Isocitric acid, sodium salt Isocitric acid, trisodium salt Threo-D(S)-iso-citrate Threo-DS-isocitrate isocitric acid
CHEBI:36454 chebi:36454	isocitrate(1-) dihydrogen isocitrate
CHEBI:36453 chebi:36453	isocitrate(2-) hydrogen isocitrate
metacyc.compound:Isocitrate metacycM:Isocitrate	isocitrate isocitric acid
CHEBI:30887 chebi:30887	isocitric acid 1-Hydroxypropane-1,2,3-tricarboxylic acid 1-Hydroxytricarballylic acid 1-hydroxypropane-1,2,3-tricarboxylic acid 3-carboxy-2,3-dideoxypentaric acid Isocitric acid
hmdb:HMDB00193 chebi:14465 chebi:24884 chebi:24886 chebi:5998 biggM:M_icit keggC:M_C00311 seedM:M_cpd00260	secondary/obsolete/fantasy identifier