Record Information
Version1.0
Creation date2018-05-02 12:55:15 UTC
Update date2018-05-04 14:12:38 UTC
FoodComEx IDPC001222
FoodDB RecordFDB012675
Chemical Information
NameS-Allylcysteine
DescriptionOccurs in garlic. Potential nutriceutical. S-Allylcysteine is found in garden onion, soft-necked garlic, and onion-family vegetables.
CAS Number21593-77-1
Structure
Thumb
Synonyms
SynonymSource
L-Cysteine, S-2-propenyl-biospider
L-deoxyallIInbiospider
S-2-Propenyl-L-cysteineHMDB
S-allyl-l -cysteinebiospider
S-Allylcysteinedb_source
Chemical FormulaC6H11NO2S
IUPAC name2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid
InChI IdentifierInChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChI KeyZFAHNWWNDFHPOH-UHFFFAOYSA-N
Isomeric SMILESNC(CSCC=C)C(O)=O
Average Molecular Weight161.222
Monoisotopic Molecular Weight161.051049291
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as cysteine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentCysteine and derivatives
Alternative Parents
Substituents
  • Cysteine or derivatives
  • Alpha-amino acid
  • Amino acid
  • Allyl sulfur compound
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Thioether
  • Sulfenyl compound
  • Dialkylthioether
  • Carbonyl group
  • Amine
  • Primary amine
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 218°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions-18°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
AKSci E401
AKSci J11186
AKSci J93933
Cayman Chemical 14014
Glentham GP5151
Toronto Research Chemicals D232180