Basic information
- Standard SMILES
O=C([O-])CCO- InChIKey
ALRHLSYJTWAHJZ-UHFFFAOYSA-M- Molecular formula
- C3H5O3-
- Average molar mass
- 89.07 g/mol
- Monoisotopic mass
- 89.02386902
Names & identifiers
- Preferred name
- 3-Hydroxypropionate
- IUPAC
- 3-hydroxypropanoate
Names & synonyms
3-HydroxypropionateCHEBI:165101190-23-4RefChem:943893-hyroxypropionate3-Hydropropionic acidALRHLSYJTWAHJZ-UHFFFAOYSA-MQ27101949
Database identifiers
- PubChem CID
- 5459847
- ChEBI
CHEBI:16510- Nikkaji
- J410.703I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- -1
- Complexity
- 44
Safety & regulation
Toxicology
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).
Chemistry & industry
Uses & manufacturing
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Related reactions
1 records
Compound notes
Loading…