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CHEBI:85509 - 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine

ChEBI IDCHEBI:85509
ChEBI Name3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine
Stars
ASCII Name3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine
DefinitionA dicarboxylic acid diamide consisting of 3-aminoalanine in which the α-amino fuunction is acylated by a 3-carbamoyloxirane-2-carbonyl group. 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.
Last Modified21 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC7H11N3O5
Net Charge0
Average Mass217.181
Monoisotopic Mass217.06987
SMILESNC[C@H](NC(=O)[C@@H]1O[C@H]1C(N)=O)C(=O)O
InChIInChI=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
InChIKeyNEROFFUGAIRXGM-PZGQECOJSA-N
Species of MetaboliteComponentSourceComments
Pantoea agglomerans (ncbitaxon:549) - PubMed (20041689) Strain: CU0119
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) has functional parent 3-amino-L-alanine (CHEBI:16303)
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) has functional parent fumaric acid (CHEBI:18012)
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) has role bacterial metabolite (CHEBI:76969)
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) is a dicarboxylic acid diamide (CHEBI:35779)
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) is a epoxide (CHEBI:32955)
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine (CHEBI:85509) is a β-amino acid (CHEBI:33706)
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)
Incoming Relation(s)
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)
IUPAC Name 
3-amino-N-[(2R*,3R*)-3-carbamoyloxirane-2-carbonyl]-L-alanine
Manual XrefsDatabases
CPD-17545MetaCyc