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Metabolite Statistics

DescriptionCount
Total Number of Metabolites220,945
Total Number of Detected and Quantified Metabolites18,588
Total Number of Detected but Not Quantified Metabolites19,448
Total Number of Expected Metabolites84,542
Total Number of Predicted Metabolites95,342
Total Number of Endogenous Metabolites82,595
Total Number of Food Metabolites32,368
Total Number of Microbial Metabolites172
Total Number of Drug Metabolites2,383
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)21,645
Total Number of Metabolite in the Human Metabolome Library (HML)867
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 Biospecimens18
Total Number of Compounds Detected in Amniotic Fluid18
Total Number of Compounds Detected in Bile Fluid19
Total Number of Compounds Detected in Blood34,078
Total Number of Compounds Detected in Breast Milk121
Total Number of Compounds Detected in Breath60
Total Number of Compounds Detected in Cellular Cytoplasm49
Total Number of Compounds Detected in Cerebrospinal Fluid (CSF)445
Total Number of Compounds Detected in Feces6,791
Total Number of Compounds Detected in Prostate Tissue12
Total Number of Compounds Detected in Saliva1,239
Total Number of Compounds Detected in Semen11
Total Number of Compounds Detected in Sweat91
Total Number of Compounds Detected in Urine2,961

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
Total Number of Compounds Detected and Quantified in Amniotic Fluid18
Total Number of Compounds Detected and Quantified in Bile Fluid18
Total Number of Compounds Detected and Quantified in Blood18,041
Total Number of Compounds Detected and Quantified in Breast Milk95
Total Number of Compounds Detected and Quantified in Cellular Cytoplasm49
Total Number of Compounds Detected and Quantified in Cerebrospinal Fluid (CSF)443
Total Number of Compounds Detected and Quantified in Feces1,007
Total Number of Compounds Detected and Quantified in Prostate Tissue12
Total Number of Compounds Detected and Quantified in Saliva731
Total Number of Compounds Detected and Quantified in Sweat41
Total Number of Compounds Detected and Quantified in Urine2,041

Disease Statistics

DescriptionCount
Total Number of Different Diseases660
Total Number of Metabolites Associated with Diseases22,600
Total Number of Metabolite Concentrations for Diseases32,087

Spectra Statistics

DescriptionCount
Total Spectra11,658,016
Total Compounds with Spectra109,518
Total NMR Spectra296,140
Total Compounds with NMR Spectra220,945
Total NMR 1D Spectra299,776
Total Compounds with NMR 1D Spectra220,945
Total NMR 2D Spectra1,052
Total Compounds with NMR 2D Spectra930
Total Experimental LC-MS/MS Spectra64,830
Total Compounds with Experimental LC-MS/MS Spectra4,424
Total Predicted LC-MS/MS Spectra1,325,670
Total Compounds with Predicted LC-MS/MS Spectra98,601
Total Experimental GC-MS Spectra12,814
Total Compounds with Experimental GC-MS Spectra3,014
Total Predicted GC-MS Spectra2,269,103
Total Compounds with Predicted GC-MS Spectra26,880
Total Predicted Retention Indices6,696,126
Total Predicted Collision Cross Section Values883,780

Instrument Spectra Statistics

DescriptionCount
Total Number of EI/MS Spectra1
Total Number of EI-B GC-MS Spectra2
Total Number of GC-MS GC-MS Spectra3
Total Number of Predicted High Energy MS/MS Spectra4
Total Number of Predicted Low Energy MS/MS Spectra4
Total Number of Predicted Med Energy MS/MS Spectra2
Total Number of Predicted Medium Energy MS/MS Spectra2
Total Number of 1H NMR Spectra11

Protein Statistics

DescriptionCount
Total Number of Unique Enzymes2,126
Total Number of Unique Transporters0
Total Number of Unique Proteins8,369
Total Number of Proteins with PDB Accessions2,036

Reference Statistics

DescriptionCount
Total Number of References78,815
DescriptionCount
ChemSpider links15,689
PubChem Compound links17,360
KEGG Compound links7,228
KEGG Pathways links426
ChEBI Compound links6,222
Wikipedia links5,840