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name Structure Reference Source Properties Activities Metabolism

beta-Alaninebetaine

AlkaPlorer ID: AK044658

Synonym: ''

IUPAC Name: 3-(trimethylazaniumyl)propanoate

Structure

SMILES: C[N+](C)(C)CCC(=O)[O-]

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InChI: InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3

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InChIKey: ACZVSMNFVFBOTM-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Limonium vulgare Limonium Plumbaginaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 131.17499999999998

TPSA？: 40.13

MolLogP？: -1.1673999999999989

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010372 CN(C)CCC(=O)O.C[SAH]>>C[N+](C)(C)CCC(=O)O RXN-6464
AKRT014290 C[N+](C)(C)CCC(=O)O>>C[N+](C)(C)CC(O)C(=O)O enzymemap_10543
AKRT014291 C[N+](C)(C)CCC=O>>C[N+](C)(C)CCC(=O)O enzymemap_18149