4,5-dioxopentanoic acid (Q27102258)

4,5-Dioxopentanoic acid (English)

19 October 2016

chemical formula

C₅H₆O₄

1 reference

4,5-Dioxopentanoic acid (English)

19 October 2016

canonical SMILES

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

1 reference

4,5-Dioxopentanoic acid (English)

InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)

19 October 2016

Identifiers

InChI

1 reference

4,5-Dioxopentanoic acid (English)

19 October 2016

2 references

4,5-Dioxopentanoic acid (English)

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

5976-90-9

1 reference

https://commonchemistry.cas.org/detail?cas_rn=5976-90-9

9 April 2021

1 reference

4,5-dioxovaleric acid (English)

19 October 2016

2 references

4,5-Dioxopentanoic acid (English)

matched by identifier from

19 October 2016

ChEBI ID

17204

mapping relation type

2 references

4,5-dioxopentanoic acid (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)

1 reference

1 reference

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

DSSTOX compound identifier

DTXCID70130984

0 references

Human Metabolome Database ID

HMDB0013233

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

0 references

1 reference

2JB8 (English)