Grundinformationen
- Standard-SMILES
O=C(O)C=CCC(=O)O- InChIKey
XVOUMQNXTGKGMA-UHFFFAOYSA-N- Summenformel
- C5H6O4
- Durchschnittliche Molmasse
- 130,1 g/mol
- Monoisotopische Masse
- 130,02660867
Überblick
Glutaconic acid is an organic compound with general formula C5H6O4. The compound is a dicarboxylic acid and related with the fully saturated glutaric acid.
Namen und Bezeichner
- Bevorzugter Name
- Pentenedioic acid
- IUPAC
- pent-2-enedioic acid
Namen und Synonyme
Pentenedioic acidRefChem:1094559CHEBI:36129SCHEMBL218412-Pentenedioic acid,(2E)-SCHEMBL7619085XVOUMQNXTGKGMA-UHFFFAOYSA-NAKOS025243555DB-008609NS00015238Q27109839
Datenbank-Bezeichner
- CAS
1724-02-3- PubChem CID
- 74406
- DTXSID
DTXSID40862740
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 147
Sicherheit und Regulatorisches
Toxikologische Informationen
Health EffectsChronically high levels of glutaconic acid are associated with Glutaric Aciduria Type I.
Toxicity Summary
Accumulating trans-glutaconic (TG) acids has been proposed to be involved in the development of the striatal degeneration seen in children with glutaric acidemia type 1 (GA1) via an excitotoxic mechanism. TG is neurotoxic and neurotoxicity is thought to be caused by an excitotoxic mechanism in which TG overactivates N-methyl-D-aspartate (NMDA) receptors. (A15451) In glutaric aciduria type 1, glutaconic acid accumulates, resulting in brain damage. (Wikipedia)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemie und Industrie
Verwendung und Herstellung
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Zugehörige Reaktionen
3
Verknüpfte Notizen
Wird geladen…