Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28001
Common Name:	Geranyl diphosphate
Systematic Name:	Geranyl pyrophosphate
RefMet Name:	Geranyl diphosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	314.0684 (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:	C10H20O7P2
InChIKey:	GVVPGTZRZFNKDS-JXMROGBWSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:	Acyclic monoterpenoids [LMPR010201]
MoNA MS spectra:	View MS spectra
SMILES:	CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	445995
LIPID MAPS ID:	LMPR0102010001
CHEBI ID:	17211
HMDB ID:	HMDB0001285
KEGG ID:	C00341
Chemspider ID:	393471
METLIN ID:	6134
MetaCyc ID:	GERANYL-PP
Plant Metabolite Hub(Pmhub):	MS000016370

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