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3-(5-oxoisoxazolin-2-yl)-L-alanine

PropertiesImage
MNX_IDMNXM127136 Image of MNXM127136
referencechebi:76855
formulaC6H8N2O4
global charge0
mol weight172.14
InChIKeyBDHFFHBFJUZSBF-BYPYZUCNSA-N
InChIInChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1
SMILES[NH3+][C@@H](CN1C=CC(=O)O1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1 Image of MNXM127136
SMILES (mnx)[CH:1]1=[CH:2][N:8]([CH2:3][C@@H:4]([C:6](=[O:10])[OH:11])[NH2:7])[O:12][C:5]1=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76855
chebi:76855
BDHFFHBFJUZSBF-BYPYZUCNSA-N 		3-(5-oxoisoxazolin-2-yl)-L-alanine
(2S)-2-azaniumyl-3-(5-oxo-1,2-oxazol-2(5H)-yl)propanoate
3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion
BIA
beta-(isoxazolin-5-on-2-yl)-L-alanine

kegg.compound:C20892
keggC:C20892
BDHFFHBFJUZSBF-BYPYZUCNSA-N 		3-(5-Oxoisoxazolin-2-yl)-L-alanine
beta-(Isoxazolin-5-on-2-yl)-L-alanine

CHEBI:77029
chebi:77029
BDHFFHBFJUZSBF-BYPYZUCNSA-N 		3-(5-oxoisoxazolin-2-yl)-L-alanine
(Isoxazolin-5-on-2-yl)alanine
(S)-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid
3-(5-oxo-1,2-oxazol-2(5H)-yl)-L-alanine
BIOYA
alpha-Amino-5-oxo-(S)-2(5H)-Isoxazolepropanoic acid
beta-(Isoxazolin-5-on-2-yl)alanine
beta-(isoxazolin-5-on-2-yl)-L-alanine

metacyc.compound:CPD-16449
metacycM:CPD-16449
seed.compound:cpd34363
seedM:cpd34363
BDHFFHBFJUZSBF-BYPYZUCNSA-N 		3-(5-oxoisoxazolin-2-yl)-L-alanine
beta-(isoxazolin-5-on-2-yl)-L-alanine

keggC:M_C20892
seedM:M_cpd34363 		secondary/obsolete/fantasy identifier