loading...| Preferred Name |
beta-alanine |
| Synonyms |
beta-alanine H-beta-Ala-OH beta-aminopropionic acid omega-aminopropionic acid bAla 3-aminopropanoic acid beta-Alanine 3-Aminopropionic acid BETA-ALANINE |
| Definitions |
A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_16958 |
| charge |
0 |
| database_cross_reference |
PMID:19239140 PMID:12887142 HMDB:HMDB0000056 Reaxys:906793 PMID:16934791 PMID:20199122 DrugBank:DB03107 PMID:19955842 CAS:107-95-9 PDBeChem:BAL Beilstein:906793 PMID:20386120 PMID:14363188 Wikipedia:Beta-Alanine PMID:12107759 PMID:11850512 KEGG:C00099 Gmelin:49614 MetaCyc:B-ALANINE PMID:18528519 PMID:20994958 KNApSAcK:C00001333 PMID:11139233 PMID:20479615 PMID:18613640 PMID:22735334 KEGG:D07561 |
| definition |
A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. |
| formula |
C3H7NO2 |
| has_alternative_id |
CHEBI:41050 CHEBI:22821 CHEBI:12389 CHEBI:10343 |
| has_exact_synonym |
beta-alanine 3-aminopropanoic acid beta-Alanine BETA-ALANINE |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
H-beta-Ala-OH beta-aminopropionic acid omega-aminopropionic acid bAla 3-aminopropanoic acid 3-Aminopropionic acid |
| id |
CHEBI:16958 |
| in_subset | |
| inchi |
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
| inchikey |
UCMIRNVEIXFBKS-UHFFFAOYSA-N |
| label |
beta-alanine |
| mass |
89.09322 |
| monoisotopicmass |
89.048 |
| notation |
CHEBI:16958 |
| prefixIRI |
CHEBI:16958 |
| prefLabel |
beta-alanine |
| smiles |
NCCC(O)=O |
| subClassOf |
http://purl.obolibrary.org/obo/GOCHE_35222 http://purl.obolibrary.org/obo/GOCHE_78675 http://purl.obolibrary.org/obo/CHEBI_33706 http://purl.obolibrary.org/obo/GOCHE_25512 |