β-alanine

Chemical Formula:

C₃H₇NO₂

Molecular Weight:

89.094 Daltons

Monoisotopic Mass:

90.0555035062 Daltons

SMILES:

C(C[N+])C([O-])=O

InChI:

1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

InChIKey:

UCMIRNVEIXFBKS-UHFFFAOYSA-N

Synonyms

3-azaniumylpropanoate
3-ammoniopropanoate
3-Aminopropionic acid
3-Aminopropanoate

Databases

MetaCyc: B-ALANINE

BiGG: ala_B

MetaboLights: MTBLC57966

HMDB: HMDB00056

ChEBI: 57966 16958

PubChem (CID): 4755801 239

KEGG: C00099

CAS: 107-95-9

PupChem (SID): 3399

CHEMBL: CHEMBL297569

KNApSAcK: C00001333

PDB-CCD: BAL

3DMET: B00025

NIKKAJI: J4.070C

RefMet: beta-Alanine Beta-Alanine

Seed: cpd00085

MetaNetX: MNXM144