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gamma-glutamyl-beta-cyanoalanine

PropertiesImage
MNX_IDMNXM11629 Image of MNXM11629
referencechebi:10565
formulaC9H13N3O5
global charge0
mol weight243.219
InChIKeyQUAADUAOVLZBJM-WDSKDSINSA-N
InChIInChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1
SMILESN#CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1 Image of MNXM11629
SMILES (mnx)[CH2:1]([CH2:2][C:7](=[N:12][C@@H:6]([CH2:3][C:4]#[N:10])[C:9](=[O:16])[OH:17])[OH:13])[C@@H:5]([C:8](=[O:14])[OH:15])[NH2:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:10565
chebi:10565
QUAADUAOVLZBJM-WDSKDSINSA-N 		gamma-glutamyl-beta-cyanoalanine
N-[(1S)-1-carboxy-2-cyanoethyl]-L-glutamine

bigg.metabolite:HC01577
biggM:HC01577
QUAADUAOVLZBJM-WDSKDSINSA-M 		Gamma-Glutamyl-beta-cyanoalanine

sabiork.compound:21279
sabiorkM:21279
QUAADUAOVLZBJM-WDSKDSINSA-N 		L-gamma-Glutamyl-L-beta-cyanoalanine

seed.compound:cpd03407
seedM:cpd03407
kegg.compound:C05711
keggC:C05711
QUAADUAOVLZBJM-WDSKDSINSA-M
QUAADUAOVLZBJM-WDSKDSINSA-N 		gamma-Glutamyl-beta-cyanoalanine

vmhM:HC01577
vmhmetabolite:HC01577
QUAADUAOVLZBJM-WDSKDSINSA-M 		gamma-Glutamyl-beta-cyanoalanine
(2S)-2-amino-4-{[(1S)-1-carboxy-2-cyanoethyl]-C-hydroxycarbonimidoyl}butanoic acid
hmdb:HMDB0060478
QUAADUAOVLZBJM-WDSKDSINSA-N 		gamma-Glutamyl-beta-cyanoalanine
(2S)-2-amino-4-{[(1S)-1-carboxy-2-cyanoethyl]-C-hydroxycarbonimidoyl}butanoic acid
g-Glutamyl-b-cyanoalanine
gamma-glutamyl-beta-cyanoalanine

CHEBI:140738
chebi:140738
QUAADUAOVLZBJM-WDSKDSINSA-M 		gamma-glutamyl-beta-cyanoalanine(1-)

hmdb:HMDB60478
biggM:M_HC01577
keggC:M_C05711
seedM:M_cpd03407
vmhM:M_HC01577 		secondary/obsolete/fantasy identifier