(2S)-5-ammonio-2-{[(1S)-1-carboxylatoethyl]ammonio}pentanoate

AlkaPlorer ID: AK038045

Synonym: None

IUPAC Name: (2S)-5-amino-2-[[(1R)-1-carboxyethyl]amino]pentanoic acid

Structure

SMILES: C[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O

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InChI: InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1

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InChIKey: ZQKXJZFWRBQTIO-RITPCOANSA-N

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Reference

PubChem CID: 13748388

NPASS: NPC109409

Properties Information

Molecule Weight: 204.22600000000003

TPSA: 112.65

MolLogP: -0.7587999999999986

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002090 CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O>>C[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O enzymemap_22859
AKRT012819 C[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O>>CC(=O)C(=O)O enzymemap_22888
AKRT012820 C[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_22888