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CHEBI:74509 - Val-FMDP

ChEBI IDCHEBI:74509
ChEBI NameVal-FMDP
Stars
DefinitionA dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-valine joined by peptide linkages.
Last Modified3 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC13H21N3O6
Net Charge0
Average Mass315.326
Monoisotopic Mass315.14304
SMILESCOC(=O)/C=C/C(=O)NCC(N)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C13H21N3O6/c1-7(2)11(13(20)21)16-12(19)8(14)6-15-9(17)4-5-10(18)22-3/h4-5,7-8,11H,6,14H2,1-3H3,(H,15,17)(H,16,19)(H,20,21)/b5-4+/t8?,11-/m0/s1
InChIKeyJRYYPGRGZBRRME-FPWJMTENSA-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)
Val-FMDP (CHEBI:74509) has functional parent L-valine (CHEBI:16414)
Val-FMDP (CHEBI:74509) has functional parent 3-aminoalanine (CHEBI:18383)
Val-FMDP (CHEBI:74509) has role metabolite (CHEBI:25212)
Val-FMDP (CHEBI:74509) is a dicarboxylic acid monoester (CHEBI:36244)
Val-FMDP (CHEBI:74509) is a dipeptide (CHEBI:46761)
Val-FMDP (CHEBI:74509) is a methyl ester (CHEBI:25248)
IUPAC Names 
(2S)-2-[(2-amino-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}propanoyl)amino]-3-methylbutanoic acid
3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanyl-L-valine
Manual XrefsDatabases
CPD0-1911MetaCyc