Record Information
Creation date2015-10-09 22:30:04 UTC
Update date2017-01-19 02:36:20 UTC
FoodComEx IDPC000346
FoodDB RecordFDB022055
Chemical Information
DescriptionAllocystathionine is a product of enzyme cystathionine synthetase [EC] which converts homocysteine to allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase [] in the same pathway. (KEGG) [HMDB]
CAS Number535-34-2
a-amino-g-(2-amino-2-carboxyethylmercapto)-Butyric acidhmdb
alpha-amino-gamma-(2-amino-2-carboxyethylmercapto)-Butyric acidhmdb
Chemical FormulaC7H14N2O4S
IUPAC name(2S)-2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid
InChI IdentifierInChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1
Isomeric SMILESN[C@@H](CCSCC(N)C(O)=O)C(O)=O
Average Molecular Weight222.262
Monoisotopic Molecular Weight222.067427636
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives 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
  • Cysteine or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Thia fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Thioether
  • Dialkylthioether
  • Sulfenyl compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
AKSci 5131AE
Cayman Chemical 17819
MetaSci HMDB0000099
Sigma-Aldrich HMDB0000099
Toronto Research Chemicals C989495