CHEBI:74492 - Phe-FMDP

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ChEBI Name Phe-FMDP
ChEBI ID CHEBI:74492
Definition A dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-phenylalanine joined by peptide linkages.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H21N3O6
Net Charge 0
Average Mass 363.36510
Monoisotopic Mass 363.14304
InChI InChI=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
InChIKey ZDSAILYUAITBJS-SSJPEIIJSA-N
SMILES COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing Phe-FMDP (CHEBI:74492) has functional parent 3-aminoalanine (CHEBI:18383)
Phe-FMDP (CHEBI:74492) has functional parent L-phenylalanine (CHEBI:17295)
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 Xref Database
CPD0-1910 MetaCyc
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Last Modified
03 March 2015