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CHEBI:74501 - Tyr-FMDP

ChEBI IDCHEBI:74501
ChEBI NameTyr-FMDP
Stars
DefinitionA dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-tyrosine joined by peptide linkages.
Last Modified3 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC17H21N3O7
Net Charge0
Average Mass379.369
Monoisotopic Mass379.13795
SMILESCOC(=O)/C=C/C(=O)NCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C17H21N3O7/c1-27-15(23)7-6-14(22)19-9-13(17(25)26)20-16(24)12(18)8-10-2-4-11(21)5-3-10/h2-7,12-13,21H,8-9,18H2,1H3,(H,19,22)(H,20,24)(H,25,26)/b7-6+/t12-,13?/m0/s1
InChIKeyGHFSCLVMNYRWQP-LOJZCDLVSA-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)
Tyr-FMDP (CHEBI:74501) has functional parent L-tyrosine (CHEBI:17895)
Tyr-FMDP (CHEBI:74501) has functional parent 3-aminoalanine (CHEBI:18383)
Tyr-FMDP (CHEBI:74501) has role metabolite (CHEBI:25212)
Tyr-FMDP (CHEBI:74501) is a dicarboxylic acid monoester (CHEBI:36244)
Tyr-FMDP (CHEBI:74501) is a dipeptide (CHEBI:46761)
Tyr-FMDP (CHEBI:74501) is a methyl ester (CHEBI:25248)
IUPAC Names 
2-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}propanoic acid
L-tyrosyl-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine
Manual XrefsDatabases
CPD0-1913MetaCyc