Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1520
Common Name:	5-phosphomevalonic acid
Systematic Name:	3R-methyl-3-hydroxypentanoic acid 5-phosphate
RefMet Name:	5-Phosphomevalonic acid
Synonyms:	(R)-5-Phosphomevaloonic acid; mevalonate-P; (R)-Mevalonic acid 5-phosphate [PubChem Synonyms]
Exact Mass:	228.0399 (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:	C6H13O7P
InChIKey:	OKZYCXHTTZZYSK-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@@](CCOP(=O)(O)O)(CC(=O)O)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:	439400
LIPID MAPS ID:	LMFA01050415
CHEBI ID:	17436
HMDB ID:	HMDB0001343
KEGG ID:	C01107
Chemspider ID:	388517
METLIN ID:	6177
MetaCyc ID:	CPD-499
Plant Metabolite Hub(Pmhub):	MS000017097

Calculated physicochemical properties (?):

Heavy Atoms:	14
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	6
van der Waals Molecular volume:	191.08 Å3 molecule-1
Toplogical Polar Sufrace Area:	124.29 Å2 molecule-1
Hydrogen Bond Donors:	4
Hydrogen Bond Acceptors:	7
logP:	0.62
Molar Refractivity:	46.22
Fraction sp3 Carbons:	0.83
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