4-(2-aminophenyl)-2,4-dioxobutanoic acid (Q27102401)

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

4-(2-aminophenyl)-2,4-dioxobutanoate(1-)

19 October 2016

conjugate base

0 references

chemical formula

C₁₀H₉NO₄

1 reference

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

canonical SMILES

C1=CC=C(C(=C1)C(=O)CC(=O)C(=O)O)N

1 reference

Recon 2.2: from reconstruction to model of human metabolism

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)

1 reference

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

2 references

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-(2-Aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

2 references

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

ChEBI ID

17442

mapping relation type

2 references

4-(2-aminophenyl)-2,4-dioxobutanoic acid (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)

SureChEMBL ID

SCHEMBL2509942

2 references

based on heuristic

inferred from InChIKey

Human Metabolome Database ID

1 reference

HMDB0000978

2 references

based on heuristic

inferred from InChIKey

0 references

1 reference

3WX9 (English)