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trans-aconitate

Properties

Image

Occurences in reactions

MNX_ID

MNXM728255

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

formula

C₆H₃O₆

charge

-3

mass

170.99461

reference

chebi:15708

InChIKey

GTZCVFVGUGFEME-HNQUOIGGSA-K

InChI

InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1+

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15708 chebi:15708	trans-aconitate (1E)-prop-1-ene-1,2,3-tricarboxylate ACONITATE ION trans-aconitate(3-)
bigg.metabolite:acon_T biggM:acon_T	Trans-Aconitate
seed.compound:cpd01563 seedM:cpd01563	trans-Aconitate (E)-prop-1-ene-1,2,3-tricarboxylate acon-T trans-Aconitic acid trans-aconitate trans-aconitic acid
sabiork.compound:6151 sabiorkM:6151 kegg.compound:C02341 keggC:C02341	trans-Aconitate trans-Aconitic acid
hmdb:HMDB0000958	trans-Aconitic acid (1E)-1-Propene-1,2,3-tricarboxylate (1E)-1-Propene-1,2,3-tricarboxylic acid (1E)-Prop-1-ene-1,2,3-tricarboxylic (1E)-prop-1-ene-1,2,3-tricarboxylic acid (1E)1-Propene-1,2,3-tricarboxylate (1E)1-Propene-1,2,3-tricarboxylic acid (e)-1-Propene-1,2,3-tricarboxylate (e)-1-Propene-1,2,3-tricarboxylic acid (e)-Aconitic acid 1-Propene-1-trans-2,3-tricarboxylic acid 1-trans-Propene-1,2,3-tricarboxylic acid Achilleic acid Acid Acid, achilleic Acid, aconitic Acid, acontic Acid, adonic Acid, carboxyglutaconic Acid, citridic Acid, citridinic Acid, equisetic Acid, pyrocitric Aconitate Aconitic acid Acontic acid Adonic acid Carboxyglutaconic acid Citridic acid Citridinic acid Equisetic acid Pyrocitric acid TRA trans aconitic acid trans-1-Propene-1,2,3-tricarboxylic acid trans-Aconitate trans-Propene-1,2,3-tricarboxylic acid
metacyc.compound:CPD-225 metacycM:CPD-225	trans-aconitate (E)-prop-1-ene-1,2,3-tricarboxylate trans-aconitic acid
CHEBI:32806 chebi:32806	trans-aconitic acid (1E)-1-propene-1,2,3-tricarboxylic acid (1E)-prop-1-ene-1,2,3-tricarboxylic acid (E)-1-propene-1,2,3-tricarboxylic acid trans-Aconitic acid
hmdb:HMDB00958 chebi:10719 chebi:12869 chebi:12878 chebi:27069 chebi:27070 chebi:46108 biggM:M_acon_T keggC:M_C02341 seedM:M_cpd01563	secondary/obsolete/fantasy identifier