Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	62925
Common Name:	8-oxo-dGDP
Systematic Name:	2'-deoxy-8-oxo-7,8-dihydroguanosine 5'-(trihydrogen diphosphate)
Synonyms:	2'-deoxy-8-oxo-guanosine-5'-diphosphate; 8-oxo-2'-deoxyguanosine-5'-diphosphate; 8-oxodeoxyguanosine diphosphate [PubChem Synonyms]
Exact Mass:	443.0243 (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:	C10H15N5O11P2
InChIKey:	LJMLTZSNWOCYNQ-VPENINKCSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Purine nucleotides [C0001506]
ClassyFire subclass:	Purine deoxyribonucleotides [C0002134]
ClassyFire direct parent:	Purine 2'-deoxyribonucleoside diphosphates [C0002139]
SMILES:	C1[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1c2c(c(=O)[nH]c(N)n2)[nH]c1=O)O
Studies:	-

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External database links:

PubChem CID:	135566401
CHEBI ID:	63728
HMDB ID:	HMDB0059648
Plant Metabolite Hub(Pmhub):	MS000027697

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