4-maleylacetoacetic acid (Q2823225)

Maleylacetoacetic acid (English)

(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid

5 October 2016

tautomer of

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₈H₈O₆

1 reference

Maleylacetoacetic acid (English)

5 October 2016

canonical SMILES

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

1 reference

Maleylacetoacetic acid (English)

5 October 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Maleylacetoacetic acid (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-

1 reference

Maleylacetoacetic acid (English)

5 October 2016

2 references

Maleylacetoacetic acid (English)

imported from Wikimedia project

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

5698-52-2

2 references

English Wikipedia

https://commonchemistry.cas.org/detail?cas_rn=5698-52-2

9 April 2021

1 reference

4-Maleylacetoacetic acid (English)

5 October 2016

1 reference

Maleylacetoacetic acid (English)

5 October 2016

Reaxys registry number

1726100

1 reference

4-maleylacetoacetic acid (English)

5 October 2016

ChEBI ID

47904

mapping relation type

2 references

4-maleylacetoacetic acid (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-

1 reference

MALEYLACETOACETATE (English)

5 October 2016

2 references

inferred from InChIKey

Human Metabolome Database ID

1 reference

1 reference

0 references

HMDB0062563

0 references

HMDB0002052

2 references

based on heuristic

inferred from InChIKey

3 references

4-maleylacetoacetic acid (English)

5 October 2016

based on heuristic

inferred from InChIKey