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L-anticapsin

PropertiesImage
MNX_IDMNXM145814 Image of MNXM145814
referencechebi:84310
formulaC9H13NO4
global charge0
mol weight199.206
InChIKeyKHVZXXWDPSCGEK-MGVQOFIGSA-N
InChIInChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1
SMILES[NH3+][C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1 Image of MNXM145814
SMILES (mnx)[CH2:1]1[CH2:2][C:6](=[O:11])[C@H:8]2[C@@H:7]([C@@H:4]1[CH2:3][C@@H:5]([C:9](=[O:12])[OH:13])[NH2:10])[O:14]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84310
chebi:84310
KHVZXXWDPSCGEK-MGVQOFIGSA-N 		L-anticapsin
(2S)-2-azaniumyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]propanoate
L-anticapsin zwitterion
anticapsin zwitterion

seed.compound:cpd34396
seedM:cpd34396
KHVZXXWDPSCGEK-MGVQOFIGSA-N 		3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
L-anticapsin

kegg.compound:C20941
keggC:C20941
KHVZXXWDPSCGEK-MGVQOFIGSA-N 		L-Anticapsin
Anticapsin

metacyc.compound:CPD-17509
metacycM:CPD-17509
KHVZXXWDPSCGEK-MGVQOFIGSA-N 		L-anticapsin
3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

CHEBI:85005
chebi:85005
KHVZXXWDPSCGEK-MGVQOFIGSA-N 		anticapsin
3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
NSC 177854

keggC:M_C20941
seedM:M_cpd34396 		secondary/obsolete/fantasy identifier