EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133648 - S-allylcysteine zwitterion

ChEBI IDCHEBI:133648
ChEBI NameS-allylcysteine zwitterion
Stars
ASCII NameS-allylcysteine zwitterion
DefinitionAn L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-allylcysteine. Major species at pH 7.3.
Last Modified13 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC6H11NO2S
Net Charge0
Average Mass161.226
Monoisotopic Mass161.05105
SMILESC=CCSC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
InChIKeyZFAHNWWNDFHPOH-YFKPBYRVSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
S-allylcysteine zwitterion (CHEBI:133648) has role metabolite (CHEBI:25212)
S-allylcysteine zwitterion (CHEBI:133648) is a L-α-amino acid zwitterion (CHEBI:59869)
S-allylcysteine zwitterion (CHEBI:133648) is tautomer of S-allylcysteine (CHEBI:74077)
Incoming Relation(s)
S-allylcysteine (CHEBI:74077) is tautomer of S-allylcysteine zwitterion (CHEBI:133648)
IUPAC Name 
(2R)-2-azaniumyl-3-[(prop-2-en-1-yl)sulfanyl]propanoate
Synonyms  Source
S-allyl-L-cysteine zwitterionChEBI
S-2-propenyl-L-cysteineChEBI
L-deoxyalliin zwitterionChEBI
Cys(All) zwitterionChEBI
UniProt Name  Source
S-allyl-L-cysteineUniProt