(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (Q27139443)

2-HYDROXY-6-OXO-2,4-HEXADIENOIC ACID (English)

19 October 2016

chemical formula

C₆H₆O₄

1 reference

stated in

RCSB protein data bank

PDB ligand ID

2VS

16 February 2021

canonical SMILES

C(=C(C=O)[H])(C(=C(C(=O)O)O)[H])[H]

1 reference

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (English)

19 October 2016

isomeric SMILES

C(=C(/C=O)\[H])(\C(=C(\C(=O)O)/O)\[H])/[H]

1 reference

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (English)

InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-

19 October 2016

Identifiers

InChI

1 reference

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (English)

19 October 2016

2 references

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-HYDROXY-6-OXO-2,4-HEXADIENOIC ACID (English)

19 October 2016

Reaxys registry number

8974337

1 reference

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (English)

19 October 2016

ChEBI ID

71207

mapping relation type

2 references

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-

SureChEMBL ID

SCHEMBL94290

2 references

based on heuristic

inferred from InChIKey

DSSTox substance ID

DTXSID101031463

1 reference

UNII

H89BYZ9XEQ

1 reference

0 references

1 reference

4OUB (English)

19 October 2016

1 reference

4NPI (English)