Molecule

Asparagine; (±)-form

AlkaPlorer ID: AK289377

Synonym: None

IUPAC Name: 2,4-diamino-4-oxobutanoic acid

SMILES: N=C(O)CC(N)C(=O)O

InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)

InChIKey: DCXYFEDJOCDNAF-UHFFFAOYSA-N

PubChem CID: 236

CAS: 84061-73-4

LOTUS: LTS0098376

NPASS: NPC314662

COCONUT: CNP0267849.4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Asparagus	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chlamydomonas reinhardtii	Chlamydomonas	Chlamydomonadaceae	Chlamydomonadales	Chlorophyceae	Chlorophyta	Viridiplantae	Eukaryota
Daphnia magna	Daphnia	Daphniidae	Diplostraca	Branchiopoda	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 132.119

TPSA？: 107.4

MolLogP？: -0.6763299999999999

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT002311	CC(=O)NC(CC(N)=O)C(=O)O>>NC(=O)CC(N)C(=O)O	enzymemap_77190
AKRT006516	CC(N)C(=O)NC(CC(N)=O)C(=O)O>>NC(=O)CC(N)C(=O)O	enzymemap_66495
AKRT016791	NC(=O)CC(N)C(=O)O>>NC(=O)CC(=O)C(=O)O	enzymemap_22053
AKRT016792	NC(=O)CC(N)C(=O)O>>NC(=O)C[C@H](N)C(=O)O	MNXR192405
AKRT016793	NC(=O)CC(N)C(=O)O>>NC(CC(=O)O)C(=O)O	MNXR192403
AKRT016794	NC(=O)CC(NC(=O)c1ccccc1)C(=O)O>>NC(=O)CC(N)C(=O)O	enzymemap_77173