Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1521
Common Name:	5-Diphosphomevalonic acid
Systematic Name:	3R-methyl-3-hydroxypentanoic acid 5-diphosphate
RefMet Name:	5-Diphosphomevalonic acid
Synonyms:	(R)-5-Diphosphomevalonic acid; mevalonate-5PP; (R)-Mevalonic acid 5-diphosphate [PubChem Synonyms]
Exact Mass:	308.0062 (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:	C6H14O10P2
InChIKey:	SIGQQUBJQXSAMW-ZCFIWIBFSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Hydroxy fatty acids [FA0105]
SMILES:	C[C@@](O)(CC(O)=O)CCOP(O)(=O)OP(O)(O)=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439418
LIPID MAPS ID:	LMFA01050416
CHEBI ID:	15899
HMDB ID:	HMDB0001090
KEGG ID:	C01143
Chemspider ID:	388531
METLIN ID:	5997
MetaCyc ID:	CPD-641
Plant Metabolite Hub(Pmhub):	MS000017119

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