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
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:txidtxid549) 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
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Citation Waiting for Citations Type Source
19807062 PubMed citation SUBMITTER
Last Modified
21 April 2015