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CHEBI:74356 - Met-FMDP

ChEBI IDCHEBI:74356
ChEBI NameMet-FMDP
Stars
DefinitionA dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-methionine joined by peptide linkages.
Last Modified3 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC13H21N3O6S
Net Charge0
Average Mass347.393
Monoisotopic Mass347.11511
SMILESCOC(=O)/C=C/C(=O)NCC(NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C13H21N3O6S/c1-22-11(18)4-3-10(17)15-7-9(13(20)21)16-12(19)8(14)5-6-23-2/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,17)(H,16,19)(H,20,21)/b4-3+/t8-,9?/m0/s1
InChIKeyHJYAHPUOQVTGHV-OSQTYMOCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Met-FMDP (CHEBI:74356) has functional parent L-methionine (CHEBI:16643)
Met-FMDP (CHEBI:74356) has functional parent 3-aminoalanine (CHEBI:18383)
Met-FMDP (CHEBI:74356) has role metabolite (CHEBI:25212)
Met-FMDP (CHEBI:74356) is a dipeptide (CHEBI:46761)
Met-FMDP (CHEBI:74356) is a methyl ester (CHEBI:25248)
IUPAC Name 
L-methionyl-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine
Synonym  Source
3-[3-(Methoxycarbonyl)prop-2-enoylamino]-2-((2S)-2-amino-4-methylthiobutanoylamino)propanoic acidMetaCyc
Manual XrefsDatabases
CPD0-1908MetaCyc