RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136028
RefMet name	dCTP
Systematic name	2'-deoxycytidine 5'-triphosphate
Synonyms	PubChem Synonyms
Exact mass	466.989606 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C9H16N3O13P3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37538 (Download molfile/View MW Metabolite Database details)
InChI	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,18,1 9)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey	RGWHQCVHVJXOKC-SHYZEUOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)O)c(=O)nc1N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine dNTP
Distribution of dCTP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting dCTP
External Links
Pubchem CID	65091
ChEBI ID	16311
KEGG ID	C00458
HMDB ID	HMDB0000998
Chemspider ID	58601
MetaCyc ID	DCTP
Spectral data for dCTP standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dCTP

Rxn ID	KEGG Reaction	Enzyme
R01668	dCTP + H2O <=> dCMP + Diphosphate	dCTP nucleotidohydrolase
R02326	ATP + dCDP <=> ADP + dCTP	ATP:dCDP phosphotransferase

Table of KEGG human pathways containing dCTP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2