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3-cyano-L-alanine

PropertiesImage
MNX_IDMNXM1105116 Image of MNXM1105116
referencechebi:77860
formulaC4H6N2O2
global charge0
mol weight114.104
InChIKeyBXRLWGXPSRYJDZ-VKHMYHEASA-N
InChIInChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
SMILESN#CC[C@H]([NH3+])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 Image of MNXM1105116
SMILES (mnx)[CH2:1]([C:2]#[N:5])[C@@H:3]([C:4](=[O:7])[OH:8])[NH2:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77860
chebi:77860
BXRLWGXPSRYJDZ-VKHMYHEASA-N 		3-cyano-L-alanine
(2S)-2-ammonio-3-cyanopropanoate
(2S)-2-azaniumyl-3-cyanopropanoate
3-cyano-L-alanine zwitterion

sabiork.compound:2431
sabiorkM:2431
kegg.compound:C02512
keggC:C02512
BXRLWGXPSRYJDZ-VKHMYHEASA-N 		3-Cyano-L-alanine
L-3-Cyanoalanine
L-beta-Cyanoalanine

CHEBI:57954
chebi:57954
BXRLWGXPSRYJDZ-VKHMYHEASA-M 		3-cyano-L-alaninate
(2S)-2-amino-3-cyanopropanoate
3-cyano-L-alaninate anion
3-cyano-L-alaninate(1-)

CHEBI:16934
chebi:16934
BXRLWGXPSRYJDZ-VKHMYHEASA-N 		3-cyano-L-alanine
3-Cyano-L-alanine
L-3-Cyanoalanine
L-beta-Cyanoalanine

metacyc.compound:CPD-603
metacycM:CPD-603
BXRLWGXPSRYJDZ-VKHMYHEASA-M 		3-cyano-L-alanine
3-cyanoalanine
L-3-cyanoalanine
cyano-L-alanine

bigg.metabolite:HC00955
biggM:HC00955
BXRLWGXPSRYJDZ-VKHMYHEASA-N 		L-3-Cyanoalanine
hmdb:HMDB0060245
BXRLWGXPSRYJDZ-VKHMYHEASA-N 		L-3-Cyanoalanine
(2S)-2-Amino-3-cyanopropanoic acid
(2S)-2-Amino-3-cyanopropionic acid
(2S)-2-amino-3-cyanopropanoic acid
2-Amino-3-cyanopropanoic acid
2-Amino-3-cyanopropionic acid
3-Cyano-L-alanine
3-Cyanoalanine
3-Cyanoalanine, (L)-isomer
3-cyanoalanine
L-2-Amino-3-cyanopropanoic acid
L-2-Amino-3-cyanopropionic acid
L-b-Cyanoalanine
L-beta-Cyanoalanine
beta-Cyano-L-alanine
beta-Cyanoalanine

vmhM:HC00955
vmhmetabolite:HC00955
BXRLWGXPSRYJDZ-VKHMYHEASA-M 		L-3-Cyanoalanine
(2S)-2-amino-3-cyanopropanoic acid

seed.compound:cpd01651
seedM:cpd01651
BXRLWGXPSRYJDZ-VKHMYHEASA-N 		L-3-Cyanoalanine
3-Cyano-L-alanine
3-cyano-L-alanine
3-cyanoalanine
L-3-cyanoalanine
L-beta-Cyanoalanine
cyano-L-alanine

hmdb:HMDB60245
chebi:11772
chebi:11773
chebi:13061
chebi:1477
chebi:19989
biggM:M_HC00955
keggC:M_C02512
seedM:M_cpd01651
vmhM:M_HC00955 		secondary/obsolete/fantasy identifier