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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2014-06-23 13:57:53 UTC
Update Date2021-09-14 15:37:15 UTC
HMDB IDHMDB0061726
Secondary Accession Numbers
  • HMDB61726
Metabolite Identification
Common NameDideoxycytidine 5'-Triphosphate
DescriptionDideoxycytidine 5'-Triphosphate, also known as 2',3'-DDCTP or DDCTP-2',3', belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleoside triphosphates. These are pyrimidine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3. Dideoxycytidine 5'-Triphosphate is a moderately basic compound (based on its pKa). In humans, dideoxycytidine 5'-triphosphate is involved in zalcitabine action pathway.
Structure
Thumb
Synonyms
ValueSource
Dideoxycytidine 5'-triphosphoric acidGenerator
2'3'-Dideoxycytidine 5'-triphosphateHMDB
2'3'-Dideoxycytidine 5'-triphosphoric acidHMDB
2',3'-DIDEOXYCYTIDINE 5'-triphosphoric acidHMDB
2',3'-DDCTPHMDB
DDCTP-2',3'HMDB
2',3'-Dideoxycytidine 5'-triphosphateMeSH
Chemical FormulaC9H16N3O12P3
Average Molecular Weight451.1575
Monoisotopic Molecular Weight450.994682527
IUPAC Name{[hydroxy({[hydroxy({[(2S,5R)-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Traditional Name[hydroxy({hydroxy[(2S,5R)-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O
InChI Identifier
InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChI KeyARLKCWCREKRROD-POYBYMJQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleoside triphosphates. These are pyrimidine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine deoxyribonucleotides
Direct ParentPyrimidine 2',3'-dideoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Pyrimidine 2',3'-dideoxyribonucleoside triphosphate
  • Aminopyrimidine
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Imidolactam
  • Alkyl phosphate
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Primary amine
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound119119
PDB IDDCT
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available