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trans-aconitate

MNXM1388 is deprecated and here replaced by MNXM728255
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728255 Image of MNXM728255
referencechebi:15708
formulaC6H3O6
global charge-3
mol weight171.084
InChIKeyGTZCVFVGUGFEME-HNQUOIGGSA-K
InChIInChI=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+
SMILESO=C([O-])/C=C(\CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ Image of MNXM728255
SMILES (mnx)[CH:1](=[C:3](\[CH2:2][C:5](=[O:9])[OH:10])[C:6](=[O:11])[OH:12])\[C:4](=[O:7])[OH:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15708
chebi:15708
GTZCVFVGUGFEME-HNQUOIGGSA-K 		trans-aconitate
(1E)-prop-1-ene-1,2,3-tricarboxylate
ACONITATE ION
trans-aconitate(3-)

bigg.metabolite:acon_T
biggM:acon_T 		Trans-Aconitate

vmhM:acon_T
vmhmetabolite:acon_T
GTZCVFVGUGFEME-HNQUOIGGSA-N 		trans-Aconitate
(1E)-prop-1-ene-1,2,3-tricarboxylic acid

seed.compound:cpd01563
seedM:cpd01563
GTZCVFVGUGFEME-HNQUOIGGSA-K 		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
GTZCVFVGUGFEME-HNQUOIGGSA-N 		trans-Aconitate
trans-Aconitic acid
hmdb:HMDB0000958
GTZCVFVGUGFEME-HNQUOIGGSA-N 		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
GTZCVFVGUGFEME-HNQUOIGGSA-K 		trans-aconitate
(E)-prop-1-ene-1,2,3-tricarboxylate
trans-aconitic acid

CHEBI:32806
chebi:32806
GTZCVFVGUGFEME-HNQUOIGGSA-N 		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
vmhM:M_acon_T 		secondary/obsolete/fantasy identifier