Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37652
Common Name:	dUTP
Systematic Name:	2'-Deoxyuridine 5'-triphosphate
RefMet Name:	dUTP
Synonyms:	Deoxyuridine triphosphate [PubChem Synonyms]
Exact Mass:	467.9736 (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:	C9H15N2O14P3
InChIKey:	AHCYMLUZIRLXAA-SHYZEUOFSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Pyrimidine nucleotides [C0001509]
ClassyFire subclass:	Pyrimidine deoxyribonucleotides [C0002148]
ClassyFire direct parent:	Pyrimidine 2'-deoxyribonucleoside triphosphates [C0002162]
Massbank MS spectra:	View MS spectra
SMILES:	c1cn([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:	65070
CHEBI ID:	17625
HMDB ID:	HMDB0001191
KEGG ID:	C00460
Chemspider ID:	58580
METLIN ID:	6069
MetaCyc ID:	DUTP
Plant Metabolite Hub(Pmhub):	MS000007262

Calculated physicochemical properties (?):

Heavy Atoms:	28
Rings:	2
Aromatic Rings:	1
Rotatable Bonds:	8
van der Waals Molecular volume:	325.27 Å3 molecule-1
Toplogical Polar Sufrace Area:	246.21 Å2 molecule-1
Hydrogen Bond Donors:	6
Hydrogen Bond Acceptors:	15
logP:	1.71
Molar Refractivity:	86.79
Fraction sp3 Carbons:	0.56
sp3 Carbons:	5

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

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