N-fumaryl-L-alanine dimethyl ester (CHEBI:215812)

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CHEBI:215812 - N-fumaryl-L-alanine dimethyl ester

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ChEBI ID	CHEBI:215812
ChEBI Name	N-fumaryl-L-alanine dimethyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H13NO5
Net Charge	0
Average Mass	215.205
Monoisotopic Mass	215.07937
SMILES	COC(=O)/C=C/C(=O)N[C@@H](C)C(=O)OC
InChI	InChI=1S/C9H13NO5/c1-6(9(13)15-3)10-7(11)4-5-8(12)14-2/h4-6H,1-3H3,(H,10,11)/b5-4+/t6-/m0/s1
InChIKey	AXLMQGRRCSKYDG-OVCGOVNKSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1007/s10600-018-2394-z)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	N-fumaryl-L-alanine dimethyl ester (CHEBI:215812) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
methyl (E)-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobut-2-enoate

Manual Xrefs	Databases
71048829	ChemSpider