CHEBI:84331 - N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion
ChEBI ID CHEBI:84331
ChEBI ASCII Name N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion
Definition An L-α-amino acid zwitterion that results from the transfer of a proton from the carboxylic acid group to the α-amino group of N3-fumaramoyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C7H11N3O4
Net Charge 0
Average Mass 201.17990
Monoisotopic Mass 201.07496
InChI InChI=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
InChIKey TXNRYTCUNXUNFH-QPHDTYRISA-N
SMILES NC(=O)\C=C\C(=O)NC[C@H]([NH3+])C([O-])=O
ChEBI Ontology
Outgoing N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion (CHEBI:84331) is a L-α-amino acid zwitterion (CHEBI:59869)
N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion (CHEBI:84331) is tautomer of N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347)
Incoming N3-fumaramoyl-(S)-2,3-diaminopropanoic acid (CHEBI:85347) is tautomer of N3-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion (CHEBI:84331)
IUPAC Name
(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoate
Synonyms Sources
(2E)-4-[[(2S)-2-amino-2-carboxyethyl]amino]-4-oxobut-2-enoate SUBMITTER
N3-fumaramoyl-(S)-2,3-diaminopropanoate UniProt
Manual Xref Database
CPD-17544 MetaCyc
View more database links
Citation Waiting for Citations Type Source
19807062 PubMed citation SUBMITTER
Last Modified
31 March 2015