**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

clavaminate

Properties Image MNX_ID MNXM2359 reference chebi:57300 formula C8H10N2O4 global charge 0 mol weight 198.178 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-] MNX internals InChI (mnx) InChI=1/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 (mnx) [C@H:1]12[CH2:2][C:4](=[O:14])[CH:3]1[C@H:5]([C:8](=[NH:9])[NH2:10])/[C:6](=[O:11]\[O:12][OH:13])[CH2:7]2

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:57300 chebi:57300 GQHALSXZONOXGJ-WHJCQOFKSA-N	clavaminate (2S,3Z,5S)-3-(2-azaniumylethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate clavaminic acid zwitterion
vmhM:cmnt vmhM:cmnt vmhmetabolite:cmnt vmhmetabolite:cmnt GQHALSXZONOXGJ-WHJCQOFKSA-N	Clavaminate
seed.compound:cpd04063 seedM:cpd04063 GQHALSXZONOXGJ-WHJCQOFKSA-N	Clavaminate (3S,5S)-clavaminic acid Clavaminic acid clavaminate clavaminic acid
kegg.compound:C06660 keggC:C06660 GQHALSXZONOXGJ-WHJCQOFKSA-N	Clavaminic acid Clavaminate
metacyc.compound:CLAVAMINATE metacycM:CLAVAMINATE GQHALSXZONOXGJ-WHJCQOFKSA-N	clavaminate (3S,5S)-clavaminic acid clavaminic acid
CHEBI:15423 chebi:15423 GQHALSXZONOXGJ-WHJCQOFKSA-N	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 vmhM:M_cmnt	secondary/obsolete/fantasy identifier