Record Information
Version1.0
Creation date2015-10-09 22:28:41 UTC
Update date2017-01-19 02:36:13 UTC
FoodComEx IDPC000127
FoodDB RecordFDB022151
Chemical Information
NameCytosine
DescriptionA pyrimidine base that is a fundamental unit of nucleic acids. The deamination of cytosine alone is apparent and the nucleotide of cytosine is the prime mutagenic nucleotide in leukaemia and cancer. [HMDB]. Cytosine is found in many foods, some of which are beech nut, turmeric, grass pea, and cucurbita (gourd).
CAS Number71-30-7
Structure
Thumb
Synonyms
SynonymSource
4-Amino-2-hydroxypyrimidinehmdb
4-Amino-2-oxo-1,2-dihydropyrimidinehmdb
4-Amino-2(1H)-pyrimidinonehmdb
4-Aminouracilhmdb
CytChEBI
CytosinChEBI
Cytosinehmdb
Cytosiniminehmdb
ZytosinChEBI
Chemical FormulaC4H5N3O
IUPAC name6-amino-1,2-dihydropyrimidin-2-one
InChI IdentifierInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChI KeyOPTASPLRGRRNAP-UHFFFAOYSA-N
Isomeric SMILESNC1=CC=NC(=O)N1
Average Molecular Weight111.102
Monoisotopic Molecular Weight111.043261797
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentPyrimidones
Alternative Parents
Substituents
  • Pyrimidone
  • Aminopyrimidine
  • Hydropyrimidine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 6 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci A433
AKSci J10203
AKSci J93471
Glentham GE8084
MetaSci HMDB0000630
Sigma-Aldrich HMDB0000630
Toronto Research Chemicals C998950