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name Structure Reference Source Properties Activities Metabolism

2-Amino-4-pentynoic acid; (±)-form

AlkaPlorer ID: AK287053

Synonym: None

IUPAC Name: 2-aminopent-4-ynoic acid

Structure

SMILES: C#CCC(N)C(=O)O

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InChI: InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)

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InChIKey: DGYHPLMPMRKMPD-UHFFFAOYSA-N

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Reference

PubChem CID: 95575

COCONUT: CNP0149987.2

Source

Species Genus Family Order Class Phylum Kingdom Domain
Amanita pseudoporphyria Amanita Amanitaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 113.116

TPSA？: 63.32000000000001

MolLogP？: -0.5784000000000002

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cystathionine gamma-lyase Inhibition nan % 10.1021/acs.jmedchem.8b01720
Mus musculus Cystathionine gamma-lyase IC50 371400.0 nM 10.1021/acs.jmedchem.8b01720
Mus musculus Cystathionine gamma-lyase Inhibition nan % 10.1021/acs.jmedchem.8b01720

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT003622 CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O.C#CCC(N)C(=O)O>>C#CCC(NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O)C(=O)O enzymemap_91034