CHEBI:84913 - 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion

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ChEBI Name 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion ChEBI ID CHEBI:84913 ChEBI ASCII Name 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion Definition An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H11N3O5 Net Charge 0 Average Mass 217.17930 Monoisotopic Mass 217.06987 InChI InChI=1S/C7H11N3O5/c8-1-2(7(13)14)10-6(12)4-3(15-4)5(9)11/h2-4H,1,8H2,(H2,9,11)(H,10,12)(H,13,14)/t2-,3+,4+/m0/s1 InChIKey NEROFFUGAIRXGM-PZGQECOJSA-N SMILES NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](C[NH3+])C([O-])=O Metabolite of Species Details Pantoea agglomerans (NCBI:txid549) of strain CU0119 See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion (CHEBI:84913) has role bacterial metabolite (CHEBI:76969) 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion (CHEBI:84913) is a amino acid zwitterion (CHEBI:35238) 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion (CHEBI:84913) is tautomer of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) Incoming 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) is tautomer of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion (CHEBI:84913) IUPAC Name (2S)-3-azaniumyl-2-{[(2R*,3R*)-3-carbamoyloxirane-2-carbonyl]amino}propanoate Synonym Source 3-[[[(2R,3R)-3-carboxyoxiran-2-yl]carbonyl]amino]-L-alanine UniProt Manual Xref Database CPD-17545 MetaCyc View more database links Citation Type Source 19807062 PubMed citation SUBMITTER Last Modified 21 April 2015