Molecule

gamma-glutamyl-beta-aminopropiononitrile

AlkaPlorer ID: AK020083

Synonym: 'gamma-Glutamyl-3-aminopropiononitrile', 'gamma-Glutamyl-beta-aminopropiononitrile'

IUPAC Name: (2S)-2-amino-5-(2-cyanoethylamino)-5-oxopentanoic acid

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

InChI: InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1

InChIKey: VQPVVWAFTIFKDD-LURJTMIESA-N

PubChem CID: 440920

LOTUS: LTS0061281

SuperNatural Ⅲ: SN0397442-01

NPASS: NPC92313

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eysenhardtia polystachya	Eysenhardtia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces lavendulae	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Lepidium meyenii	Lepidium	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum formosanum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota

Molecule Weight: 199.21

TPSA？: 119.7

MolLogP？: 0.0486799999999998

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT015616	N#CCCN.N[C@@H](CCC(=O)O)C(=O)O>>N#CCCNC(=O)CC[C@H](N)C(=O)O	R03971
AKRT015619	N#CCCNC(=O)CC[C@H](N)C(=O)O.O=C=O>>N#CC[C@H](N)C(=O)O	MNXR105362
AKRT015620	N#CCCNC(=O)CC[C@H](N)C(=O)O.O=C=O>>NC(CCC(=O)O)C(=O)O	MNXR179803
AKRT015621	N#CCCNC(=O)CC[C@H](N)C(=O)O>>N#CC[C@H](N)C(=O)O	MNXR179803
AKRT015622	N#CCCNC(=O)CC[C@H](N)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O	MNXR105362