Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37738
Common Name:	dTTP
Systematic Name:	2'-Deoxythymidine triphosphate
RefMet Name:	dTTP
Synonyms:	TTP; dTTP; Deoxy-TTP; 5'-TTP; Deoxythymidine 5'-triphosphate [PubChem Synonyms]
Exact Mass:	481.9893 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H17N2O14P3
InChIKey:	NHVNXKFIZYSCEB-XLPZGREQSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues
ClassyFire class:	Pyrimidine nucleotides
ClassyFire subclass:	Pyrimidine deoxyribonucleotides
ClassyFire direct parent:	Pyrimidine 2'-deoxyribonucleoside triphosphates
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	Cc1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)O)c(=O)[nH]c1=O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	64968
CHEBI ID:	18077
HMDB ID:	HMDB0001342
KEGG ID:	C00459
Chemspider ID:	58493
MetaCyc ID:	TTP
NP-MRD ID(NMR):	NP0001235
Plant Metabolite Hub(Pmhub):	MS000000837

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.