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CHEBI:74407 - N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid

ChEBI IDCHEBI:74407
ChEBI NameN(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid
Stars
ASCII NameN(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid
DefinitionA monocarboxylic acid amide obtained by the formal condensation of the terminal amino group of 3-amino-L-alanine with the carboxy group of (2E)-4-methoxy-4-oxobut-2-enoic acid.
Last Modified3 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC8H12N2O5
Net Charge0
Average Mass216.193
Monoisotopic Mass216.07462
SMILESCOC(=O)/C=C/C(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C8H12N2O5/c1-15-7(12)3-2-6(11)10-4-5(9)8(13)14/h2-3,5H,4,9H2,1H3,(H,10,11)(H,13,14)/b3-2+/t5-/m0/s1
InChIKeyIXTGTEFAVXEHRV-HRJJCQLASA-N
Roles Classification
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)
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid (CHEBI:74407) has functional parent 3-amino-L-alanine (CHEBI:16303)
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid (CHEBI:74407) has role metabolite (CHEBI:25212)
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid (CHEBI:74407) is a enoate ester (CHEBI:51702)
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid (CHEBI:74407) is a methyl ester (CHEBI:25248)
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid (CHEBI:74407) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Names 
3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}-L-alanine
(2S)-2-amino-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}propanoic acid
Synonym  Source
FMDPChemIDplus
Registry NumbersSources
Reaxys:4251602Reaxys
CAS:96920-07-9ChemIDplus
Citations