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clavaminate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2359

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₈H₁₀N₂O₄

charge

mass

198.06406

reference

InChIKey

GQHALSXZONOXGJ-WHJCQOFKSA-N

InChI

InChI=1S/C8H10N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h1,6-7H,2-3,9H2,(H,12,13)/b4-1-/t6-,7-/m0/s1

SMILES

[NH3+]C/C=C1\O[C@H]2CC(=O)N2[C@@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57300 chebi:57300	clavaminate (2S,3Z,5S)-3-(2-azaniumylethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate clavaminic acid zwitterion
seed.compound:cpd04063 seedM:cpd04063	Clavaminate (3S,5S)-clavaminic acid Clavaminic acid clavaminate clavaminic acid
kegg.compound:C06660 keggC:C06660	Clavaminic acid Clavaminate
metacyc.compound:CLAVAMINATE metacycM:CLAVAMINATE	clavaminate (3S,5S)-clavaminic acid clavaminic acid
CHEBI:15423 chebi:15423	clavaminic acid (2S,3Z,5S)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Clavaminate Clavaminic acid
chebi:14003 chebi:3733 keggC:M_C06660 seedM:M_cpd04063	secondary/obsolete/fantasy identifier