N-Acetyl-4-nitrotryptophan (CHEBI:200689)

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CHEBI:200689 - N-Acetyl-4-nitrotryptophan

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ChEBI ID	CHEBI:200689
ChEBI Name	N-Acetyl-4-nitrotryptophan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H13N3O5
Net Charge	0
Average Mass	291.263
Monoisotopic Mass	291.08552
SMILES	CC(=O)N[C@H](Cc1cnc2cccc([N+](=O)[O-])c12)C(=O)O
InChI	InChI=1S/C13H13N3O5/c1-7(17)15-10(13(18)19)5-8-6-14-9-3-2-4-11(12(8)9)16(20)21/h2-4,6,10,14H,5H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKey	PPBXRRAOLBQTEB-SNVBAGLBSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces scabiei (ncbitaxon:1930)	-	DOI (10.1016/0031-9422(95)00256-7)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	N-Acetyl-4-nitrotryptophan (CHEBI:200689) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2R)-2-acetamido-3-(4-nitro-1H-indol-3-yl)propanoic acid