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CHEBI:189718 - N-acetyl-S-allylcysteine

ChEBI IDCHEBI:189718
ChEBI NameN-acetyl-S-allylcysteine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13NO3S
Net Charge0
Average Mass203.263
Monoisotopic Mass203.06161
SMILESC=CCSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKeyLKRAEHUDIUJBSF-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-acetyl-S-allylcysteine (CHEBI:189718) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-prop-2-enylsulanylpropanoic acid
Manual XrefsDatabases
134378ChemSpider
Registry NumbersSources
CAS:23127-41-5ChemIDplus