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CHEBI:85347 - N3-fumaramoyl-(S)-2,3-diaminopropanoic acid

ChEBI IDCHEBI:85347
ChEBI NameN3-fumaramoyl-(S)-2,3-diaminopropanoic acid
Stars
ASCII NameN(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid
DefinitionAn L-alanine derivative obtained by formal condensation of the carboxy group of fumaric acid monoamide with the side-chain amino group of 3-amino-L-alanine.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC7H11N3O4
Net Charge0
Average Mass201.182
Monoisotopic Mass201.07496
SMILESNC(=O)/C=C/C(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(7(13)14)3-10-6(12)2-1-5(9)11/h1-2,4H,3,8H2,(H2,9,11)(H,10,12)(H,13,14)/b2-1+/t4-/m0/s1
InChIKeyTXNRYTCUNXUNFH-QPHDTYRISA-N
Species of MetaboliteComponentSourceComments
Pantoea agglomerans (ncbitaxon:549) - PubMed (20041689) Strain: CU0119
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) has functional parent 3-amino-L-alanine (CHEBI:16303)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) has functional parent fumaric acid (CHEBI:18012)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) has role bacterial metabolite (CHEBI:76969)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) is a L-alanine derivative (CHEBI:83943)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) is a enamide (CHEBI:51751)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) is a primary carboxamide (CHEBI:140324)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) is a secondary carboxamide (CHEBI:140325)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) is tautomer of N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion (CHEBI:84331)
Incoming Relation(s)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion (CHEBI:84331) is tautomer of N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347)
IUPAC Name 
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanine
Synonyms  Source
N3-fumaramoyl-L-2,3-diaminopropanoic acidChEBI
N3-fumaramoyl-3-amino-L-alanineChEBI
N(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acidChemIDplus
Manual XrefsDatabases
CPD-17544MetaCyc
Registry NumbersSources
CAS:91235-43-7ChemIDplus
Citations