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CHEBI:74492 - Phe-FMDP

ChEBI IDCHEBI:74492
ChEBI NamePhe-FMDP
Stars
DefinitionA dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-phenylalanine joined by peptide linkages.
Last Modified3 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC17H21N3O6
Net Charge0
Average Mass363.370
Monoisotopic Mass363.14304
SMILESCOC(=O)/C=C/C(=O)NCC(N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H21N3O6/c1-26-15(22)8-7-14(21)19-10-12(18)16(23)20-13(17(24)25)9-11-5-3-2-4-6-11/h2-8,12-13H,9-10,18H2,1H3,(H,19,21)(H,20,23)(H,24,25)/b8-7+/t12?,13-/m0/s1
InChIKeyZDSAILYUAITBJS-SSJPEIIJSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
Phe-FMDP (CHEBI:74492) has functional parent L-phenylalanine (CHEBI:17295)
Phe-FMDP (CHEBI:74492) has functional parent 3-aminoalanine (CHEBI:18383)
Phe-FMDP (CHEBI:74492) has role metabolite (CHEBI:25212)
Phe-FMDP (CHEBI:74492) is a dicarboxylic acid monoester (CHEBI:36244)
Phe-FMDP (CHEBI:74492) is a dipeptide (CHEBI:46761)
Phe-FMDP (CHEBI:74492) is a methyl ester (CHEBI:25248)
IUPAC Names 
(2S)-2-[(2-amino-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}propanoyl)amino]-3-phenylpropanoic acid
3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanyl-L-phenylalanine
Manual XrefsDatabases
CPD0-1910MetaCyc