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Metabolite Statistics

DescriptionCount
Total Number of Metabolites253,245
Total Number of Detected and Quantified Metabolites3,444
Total Number of Detected but Not Quantified Metabolites20,924
Total Number of Expected Metabolites98,257
Total Number of Predicted Metabolites130,679
Total Number of Endogenous Metabolites222,860
Total Number of Food Metabolites32,368
Total Number of Microbial Metabolites172
Total Number of Drug Metabolites909
Total Number of Plant Metabolites146
Total Number of Toxin/Pollutant Metabolites157
Total Number of Cosmetic Metabolites17
Total Number of Metabolites Having Associated Proteins (Enzymes and Transporters)71,168
Total Number of Metabolite in the Human Metabolome Library (HML)1,020
Total Number of Metabolites with Synthesis Records1,608
Total Number of Oxidized Lipids40,248
Total Number of Cardiolipins52,783
Total Number of Blood Exposome Compounds17,466
Total Number of Acylcarnitines and AcylCoAs2,189
Total Number of Acylamides188
Total Derivatized Compounds (TMS and TBDMS)2,127,525

Biospecimen Statistics

DescriptionCount
Total Number of Different Biospecimens61

Concentration Statistics

DescriptionCount
Total Number of Compounds Detected and Quantified for Normal Individuals3,292
Total Number of Compounds Detected and Quantified for Abnormal Conditions1,791

Disease Statistics

DescriptionCount
Total Number of Different Diseases657
Total Number of Metabolites Associated with Diseases22,600
Total Number of Metabolite Concentrations for Diseases32,087

Spectra Statistics

DescriptionCount
Total Number of NMR or GC-MS or MS/MS Spectra2,732,152
Total Number of Compounds with NMR or GC-MS or MS/MS Spectra211,527
Total Number of NMR Spectra242,268
Total Number of Compounds with NMR Spectra12,345
Total Number of NMR 1D Spectra241,371
Total Number of NMR 1D 1H Spectra121,081
Total Number of NMR 1D 13C Spectra120,290
Total Number of Compounds with NMR 1D Spectra12,216
Total Number of NMR 2D Spectra897
Total Number of Compounds with NMR 2D Spectra897
Total Number of Experimental LC-MS/MS Spectra64,923
Total Number of Compounds with Experimental LC-MS/MS Spectra4,064
Total Number of Predicted LC-MS/MS Spectra1,787,163
Total Number of Compounds with Predicted LC-MS/MS Spectra206,809
Total Number of Experimental GC-MS Spectra11,493
Total Number of Compounds with Experimental GC-MS Spectra3,000
Total Number of Predicted GC-MS Spectra627,700
Total Number of Compounds with Predicted GC-MS Spectra74,944
Total Number of Predicted Retention Indices1,877,524
Total Number of Predicted Collision Cross Section Values1,265,640
Total Number of MS-IR Spectra76

Instrument Spectra Statistics

Protein Statistics

DescriptionCount
Total Number of Unique Enzymes2,126
Total Number of Unique Transporters84
Total Number of Unique Proteins8,369
Total Number of Proteins with PDB Accessions2,036

Reference Statistics

DescriptionCount
Total Number of References78,841
DescriptionCount
ChemSpider links15,869
PubChem Compound links17,360
KEGG Compound links7,228
KEGG Pathways links426
ChEBI Compound links6,222
Wikipedia links5,840