N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346)

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CHEBI:85346 - N³-fumaroyl-(S)-2,3-diaminopropanoic acid

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ChEBI ID	CHEBI:85346
ChEBI Name	N³-fumaroyl-(S)-2,3-diaminopropanoic acid
Stars
ASCII Name	N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid
Definition	An L-alanine derivative obtained by formal condensation of one of the carboxy groups of fumaric acid with the side-chain amino group of 3-amino-L-alanine.
Last Modified	7 March 2018
Submitter	Steve
Downloads	Molfile

Formula	C7H10N2O5
Net Charge	0
Average Mass	202.166
Monoisotopic Mass	202.05897
SMILES	N[C@@H](CNC(=O)/C=C/C(=O)O)C(=O)O
InChI	InChI=1S/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+/t4-/m0/s1
InChIKey	FYPSRFSOOLJBNE-QPHDTYRISA-N

Species of Metabolite	Component	Source	Comments
Pantoea agglomerans (ncbitaxon:549)	-	PubMed (20041689)	Strain: CU0119

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) has functional parent 3-amino-L-alanine (CHEBI:16303)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) has functional parent fumaric acid (CHEBI:18012)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) has role bacterial metabolite (CHEBI:76969)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is a L-alanine derivative (CHEBI:83943)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is a dicarboxylic acid monoamide (CHEBI:35735)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is a enamide (CHEBI:51751)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is a secondary carboxamide (CHEBI:140325)
	N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is conjugate acid of N³-fumaroyl-(S)-2,3-diaminopropanoate (CHEBI:84330)
Incoming Relation(s)
Incoming Relation(s)	N³-fumaroyl-(S)-2,3-diaminopropanoate (CHEBI:84330) is conjugate base of N³-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346)

IUPAC Name
(2E)-4-{[(2S)-2-amino-2-carboxyethyl]amino}-4-oxobut-2-enoic acid

Synonym	Source
N³-fumaroyl-L-2,3-diaminopropanoic acid	ChEBI

Manual Xrefs	Databases
CPD0-1237	MetaCyc

Citations