(Q27124249)

trans-2-methylaconitic acid (English)

6 October 2016

chemical formula

C₇H₈O₆

1 reference

trans-2-methylaconitic acid (English)

6 October 2016

canonical SMILES

CC(=C(CC(=O)O)C(=O)O)C(=O)O

1 reference

trans-2-methylaconitic acid (English)

6 October 2016

isomeric SMILES

C/C(=C(/CC(=O)O)\C(=O)O)/C(=O)O

1 reference

trans-2-methylaconitic acid (English)

InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3+

6 October 2016

Identifiers

InChI

1 reference

trans-2-methylaconitic acid (English)

NUZLRKBHOBPTQV-ONEGZZNKSA-N

6 October 2016

InChIKey

2 references

trans-2-methylaconitic acid (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E)-2-Butene-1,2,3-tricarboxylic acid (English)

6 October 2016

2 references

trans-2-methylaconitic acid (English)

matched by identifier from

6 October 2016

InChIKey

NUZLRKBHOBPTQV-ONEGZZNKSA-N

Reaxys registry number

2416239

1 reference

(2E)-but-2-ene-1,2,3-tricarboxylic acid (English)

6 October 2016

ChEBI ID

55353

mapping relation type

2 references

(2E)-but-2-ene-1,2,3-tricarboxylic acid (English)