Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28692
Common Name:	All-trans-pentaprenyl diphosphate
Systematic Name:	3,7,11,15,19-pentamethylicosa-2E,6E,10E,14E,18-pentaen-1-yl trihydrogen diphosphate
RefMet Name:	All-trans-pentaprenyl diphosphate
Synonyms:	all-trans-Pentaprenyl diphosphate [PubChem Synonyms]
Exact Mass:	518.2562 (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:	C25H44O7P2
InChIKey:	JMVSBFJBMXQNJW-GIXZANJISA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C25 isoprenoids (sesterterpenes) [PR0105]
LIPID MAPS level4class:	Acyclic sesterterpenoids [LMPR010501]
SMILES:	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5280659
LIPID MAPS ID:	LMPR0105010014
CHEBI ID:	16818
HMDB ID:	HMDB0012231
KEGG ID:	C04217
Chemspider ID:	4444258
Plant Metabolite Hub(Pmhub):	MS000018254

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