(Q27120867)

4,6-dioxohept-2-enedioic acid (English)

6 October 2016

chemical formula

C₇H₆O₆

1 reference

4,6-dioxohept-2-enedioic acid (English)

6 October 2016

canonical SMILES

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

1 reference

4,6-dioxohept-2-enedioic acid (English)

reason for deprecated rank

6 October 2016

isomeric SMILES

C(C(=O)/C=C/C(=O)O)C(=O)C(=O)O

applies to other chemical entity

intended subject of deprecated statement

3-fumarylpyruvic acid

1 reference

(2E)-4,6-Dioxo-2-heptenedioic acid (English)

InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)

6 October 2016

Identifiers

InChI

1 reference

4,6-dioxohept-2-enedioic acid (English)

6 October 2016

2 references

4,6-dioxohept-2-enedioic acid (English)

6 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

(2E)-4,6-Dioxo-2-heptenedioic acid (English)

6 October 2016

2 references

4,6-dioxohept-2-enedioic acid (English)

6 October 2016

ChEBI ID

47940

mapping relation type

2 references

4,6-dioxohept-2-enedioic acid (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)

SureChEMBL ID

SCHEMBL23361428

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references