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

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

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ChEBI ID	CHEBI:84331
ChEBI Name	N³-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion
Stars
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.
Last Modified	31 March 2015
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C7H11N3O4
Net Charge	0
Average Mass	201.182
Monoisotopic Mass	201.07496
SMILES	NC(=O)/C=C/C(=O)NC[C@H]([NH3+])C(=O)[O-]
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

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	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

Synonym	Source
(2E)-4-[[(2S)-2-amino-2-carboxyethyl]amino]-4-oxobut-2-enoate	SUBMITTER

UniProt Name	Source
N³-fumaramoyl-(S)-2,3-diaminopropanoate	UniProt

Manual Xrefs	Databases
CPD-17544	MetaCyc

Citations