Grundinformationen
- Standard-SMILES
O=C([O-])CCO- InChIKey
ALRHLSYJTWAHJZ-UHFFFAOYSA-M- Summenformel
- C3H5O3-
- Durchschnittliche Molmasse
- 89,07 g/mol
- Monoisotopische Masse
- 89,02386902
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxypropionate
- IUPAC
- 3-hydroxypropanoate
Namen und Synonyme
3-HydroxypropionateCHEBI:165101190-23-4RefChem:943893-hyroxypropionate3-Hydropropionic acidALRHLSYJTWAHJZ-UHFFFAOYSA-MQ27101949
Datenbank-Bezeichner
- PubChem CID
- 5459847
- ChEBI
CHEBI:16510- Nikkaji
- J410.703I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 60,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- -1
- Komplexität
- 44
Sicherheit und Regulatorisches
Toxikologische Informationen
Health Effects
Chronically high levels of hydroxypropionic acid are associated with at least 5 inborn errors of metabolism including: Biotinidase deficiency, Malonic Aciduria, Methylmalonate Semialdehyde Dehydrogenase Deficiency, Methylmalonic Aciduria, Methylmalonic, Aciduria Due to Cobalamin-Related Disorders and Propionic acidemia.
Toxicity Summary
3-hydroxypropionic acid (3HP) toxicity is mediated by 3-hydroxypropionic aldehyde (reuterin). 3HP toxicity is also proposed to be related to inhibition of the chorismate and threonine super-pathways. Generally, the toxicity mechanism of 3HP is not understood at the molecular level. (A15450)
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.
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