Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 00:06:23 UTC
Update Date2022-08-31 17:50:27 UTC
Metabolite IDMMDBc0030388
Metabolite Identification
Common NameDeoxycytidine 5'-triphosphate
DescriptionDeoxycytidine triphosphate (dCTP) is a cytidine nucleotide triphosphate that is used whenever DNA is synthesized by DNA polymerase. During DNA synthesis dCTP has the PPi (pyrophosphate) cleaved off and the dCMP is incorporated into the DNA strand at the 3' end.
Structure
Synonyms
ValueSource
Deoxycytidine 5'-triphosphoric acidGenerator
Molecular FormulaC9H16N3O13P3
Average Mass467.1569
Monoisotopic Mass466.989597149
IUPAC Name({[({[(2S,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry Number2056-98-6
SMILES
NC1=NC(=O)N(C=C1)[C@H]1C[C@@H](O)[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1
InChI Identifier
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8-/m1/s1
InChI KeyRGWHQCVHVJXOKC-GKROBHDKSA-N