CHEBI:74509 - Val-FMDP

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ChEBI Name Val-FMDP
ChEBI ID CHEBI:74509
Definition A dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-valine joined by peptide linkages.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H21N3O6
Net Charge 0
Average Mass 315.32230
Monoisotopic Mass 315.14304
InChI InChI=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
InChIKey JRYYPGRGZBRRME-FPWJMTENSA-N
SMILES COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](C(C)C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 Val-FMDP (CHEBI:74509) has functional parent 3-aminoalanine (CHEBI:18383)
Val-FMDP (CHEBI:74509) has functional parent L-valine (CHEBI:16414)
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 Xref Database
CPD0-1911 MetaCyc
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Last Modified
03 March 2015