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CHEBI:74077 - S-allylcysteine

ChEBI IDCHEBI:74077
ChEBI NameS-allylcysteine
Stars
ASCII NameS-allylcysteine
DefinitionAn S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity.
Last Modified13 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC6H11NO2S
Net Charge0
Average Mass161.226
Monoisotopic Mass161.05105
SMILESC=CCSC[C@H](N)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
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
S-allylcysteine (CHEBI:74077) has role antineoplastic agent (CHEBI:35610)
S-allylcysteine (CHEBI:74077) has role metabolite (CHEBI:25212)
S-allylcysteine (CHEBI:74077) is a S-hydrocarbyl-L-cysteine (CHEBI:47913)
S-allylcysteine (CHEBI:74077) is tautomer of S-allylcysteine zwitterion (CHEBI:133648)
Incoming Relation(s)
S-allylcysteine zwitterion (CHEBI:133648) is tautomer of S-allylcysteine (CHEBI:74077)
IUPAC Name 
S-prop-2-en-1-yl-L-cysteine
Synonyms  Source
S-allyl-L-cysteineChEBI
S-2-propenyl-L-cysteineHMDB
L-deoxyalliinHMDB
Manual XrefsDatabases
HMDB0034323HMDB
C16759KEGG COMPOUND
S-Allyl_cysteineWikipedia
Registry NumbersSources
Reaxys:1722895Reaxys
CAS:21593-77-1ChemIDplus
CAS:21593-77-1KEGG COMPOUND
Citations