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name Structure Reference Source Properties Activities Metabolism

(3S)-4-ammonio-3-hydroxybutanoate

AlkaPlorer ID: AK321548

Synonym: None

IUPAC Name: 4-amino-3-hydroxybutanoic acid

Structure

SMILES: NCC(O)CC(=O)O

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InChI: InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)

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InChIKey: YQGDEPYYFWUPGO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 119.12

TPSA？: 83.55

MolLogP？: -1.2192999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Prelamin-A/C Potency 35481.3 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 120.52 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 106.53 % 10.1124/mol.112.084152
Rattus norvegicus Carnitine/acylcarnitine translocase Experimental DPM 4223.0 None 10.1021/jm00155a045
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
None Unchecked Anticonvulsant activity nan None 10.1016/s0960-894x(03)00535-3

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017783 NCC(O)CC(=O)O>>NCC(=O)CC(=O)O enzymemap_745
AKRT017784 NCC(O)CC(=O)O>>O=CC(O)CC(=O)O enzymemap_41760
AKRT020159 N[C@H](C(=O)O)C(O)CC(=O)O>>NCC(O)CC(=O)O enzymemap_81541
AKRT020181 N[C@H](C(=O)O)[C@H](O)CC(=O)O>>NCC(O)CC(=O)O HYDROXYGLUTAMATE-DECARBOXYLASE-RXN
AKRT023663 O=CC(O)CC(=O)O>>NCC(O)CC(=O)O enzymemap_41760