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CHEBI:233915 - N-acetyltheanine

ChEBI IDCHEBI:233915
ChEBI NameN-acetyltheanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N2O4
Net Charge0
Average Mass216.237
Monoisotopic Mass216.11101
SMILESCCNC(=O)CC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-10-8(13)5-4-7(9(14)15)11-6(2)12/h7H,3-5H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)/t7-/m0/s1
InChIKeySTZOUWQDQRPMBI-ZETCQYMHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-acetyltheanine (CHEBI:233915) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-2-acetamido-5-(ethylamino)-5-oxopentanoic acid