MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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gamma-glutamyl-beta-aminopropiononitrile

	Properties	Image
MNX_ID	MNXM1104882
reference	chebi:28092
formula	C₈H₁₃N₃O₃
global charge	0
mol weight	199.21
InChIKey	VQPVVWAFTIFKDD-LURJTMIESA-N
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
SMILES	N#CCCNC(=O)CC[C@H](N)C(=O)O

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH2:1]([C:4]#[N:9])[CH2:5][N:11]=[C:7]([CH2:3][CH2:2][C@@H:6]([C:8](=[O:13])[OH:14])[NH2:10])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28092 chebi:28092 VQPVVWAFTIFKDD-LURJTMIESA-N	gamma-glutamyl-beta-aminopropiononitrile N-(2-cyanoethyl)-L-glutamine gamma-Glutamyl-3-aminopropiononitrile gamma-Glutamyl-beta-aminopropiononitrile
bigg.metabolite:HC01700 biggM:HC01700 VQPVVWAFTIFKDD-LURJTMIESA-N	Gamma-Glutamyl-3-aminopropiononitrile
vmhM:HC01700 vmhmetabolite:HC01700 VQPVVWAFTIFKDD-LURJTMIESA-N	gamma-Glutamyl-3-aminopropiononitrile (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid
seed.compound:cpd03646 seedM:cpd03646 VQPVVWAFTIFKDD-LURJTMIESA-N	gamma-Glutamyl-3-aminopropiononitrile gamma-Glutamyl-beta-aminopropiononitrile
hmdb:HMDB0060477 VQPVVWAFTIFKDD-LURJTMIESA-N	gamma-Glutamyl-beta-aminopropiononitrile (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid g-Glutamyl-3-aminopropiononitrile g-Glutamyl-b-aminopropiononitrile gamma-Glutamyl-3-aminopropiononitrile gamma-glutamyl-3-aminopropiononitrile gamma-glutamyl-beta-aminopropiononitrile
kegg.compound:C06114 keggC:C06114 VQPVVWAFTIFKDD-LURJTMIESA-N	gamma-Glutamyl-beta-aminopropiononitrile gamma-Glutamyl-3-aminopropiononitrile
hmdb:HMDB60477 chebi:10564 chebi:24192 biggM:M_HC01700 keggC:M_C06114 seedM:M_cpd03646 vmhM:M_HC01700	secondary/obsolete/fantasy identifier