Showing information for HMDB0000807 ('3-phosphoglycerate')

Metabolite information
HMDB ID HMDB0000807
Synonyms
3-(Dihydrogen phosphate)glycerate
3-(Dihydrogen phosphate)glyceric acid
3-(Dihydrogen phosphoric acid)glyceric acid
3-Glycerophosphorate
3-Glycerophosphoric acid
3-P-D-Glycerate
3-P-Glycerate
3-PG
3-PGA
3-Phosphoglycerate
3-Phosphoglycerate, (R)-isomer
3-Phosphoglycerate, monosodium salt
3-Phosphoglycerate, trisodium salt
3-phospho-(R)-Glycerate
3-phospho-D-Glycerate
3-phospho-Glycerate
3-phospho-Glyceric acid
D-(-)-3-Phosphoglyceric acid
D-Glycerate 3-phosphate
DL-Glycerate 3-phosphate
DL-Glyceric acid 3-phosphoric acid
G3P
Glycerate 3-phosphate
Glycerate 3-phosphates
Glycerate-3-P
Glyceric acid 3-phosphate
Glyceric acid 3-phosphates
Glyceric acid 3-phosphoric acid
Phosphoglycerate
Chemical formula C3H7O7P
IUPAC name
2-hydroxy-3-(phosphonooxy)propanoic acid
CAS registry number 820-11-1
Monoisotopic molecular weight 185.99293909

Chemical taxonomy
Super class Organic oxygen compounds
Class Organooxygen compounds
Sub class Carbohydrates and carbohydrate conjugates

Biological properties
Pathways (Pathway Details in HMDB)

The paper(s) that report HMDB0000807 as a lung cancer biomarker


The studies that identify HMDB0000807 as a lung cancer-related metabolite

Reference Country Specimen Marker function Participants (Case) Participants (Control)
Cancer type Stage Number Gender (M,F) Age mean (range) (M/F) Smoking status Type Number Gender (M,F) Age mean (range) (M/F) Smoking status
Fahrmann et al. 2015 US plasma diagnosis adenocarcinoma I, II, III, IV 43 21, 22 67.3 ± 10.10 – healthy 43 21, 22 65.9 ± 8.05 –
Fahrmann et al. 2015 US serum diagnosis adenocarcinoma I, II, III, IV 43 21, 22 67.3 ± 10.10 – healthy 43 21, 22 65.9 ± 8.05 –
Fahrmann et al. 2015 US serum diagnosis adenocarcinoma I, II, III, IV 49 17, 32 65.9 ± 9.87 – healthy 31 11, 20 64.1 ± 8.97 –
Fahrmann et al. 2015 US plasma diagnosis adenocarcinoma I, II, III, IV 52 17, 35 65.9 ± 9.66 – healthy 31 11, 20 64.1 ± 8.97 –
Wikoff et al. 2015b US tissue diagnosis adenocarcinoma I 39 15, 24 72.33 ± 8.78 smoker, non-smoker tumor vs. adjacent normal tissue 39 15, 24 72.33 ± 8.78 smoker, non-smoker
Moreno et al. 2018 Spain tissue therapy, diagnosis adenocarcinoma I, II, III 33 24, 9 62.11 ± 9.73 – tumor vs. adjacent normal tissue 33 24, 9 62.11 ± 9.73 –
Moreno et al. 2018 Spain tissue therapy, diagnosis squamous cell carcinoma I, II, III 35 35, 0 68.71 ± 7.46 – tumor vs. adjacent normal tissue 35 35, 0 68.71 ± 7.46 –
Sun et al. 2019 China serum diagnosis lung cancer I, II, III, IV 31 21, 10 54.1 ± 9.9 smoker, non-smoker healthy 29 15, 14 52.1 ± 14.6 smoker, non-smoker
Reference Chromatography Ion source Positive/Negative mode Mass analyzer Identification level
Fahrmann et al. 2015 GC EI – TOF –
Fahrmann et al. 2015 GC EI – TOF –
Fahrmann et al. 2015 GC EI – TOF –
Fahrmann et al. 2015 GC EI – TOF –
Wikoff et al. 2015b GC EI – TOF –
Moreno et al. 2018 LC, GC ESI, EI both LC: linear ion-trap, GC: single-quadrupole LC: MS/MS
Moreno et al. 2018 LC, GC ESI, EI both LC: linear ion-trap, GC: single-quadrupole LC: MS/MS
Sun et al. 2019 GC – – – –
Reference Data processing software Database search
Fahrmann et al. 2015 – UC Davis Metabolomics BinBase database
Fahrmann et al. 2015 – UC Davis Metabolomics BinBase database
Fahrmann et al. 2015 – UC Davis Metabolomics BinBase database
Fahrmann et al. 2015 – UC Davis Metabolomics BinBase database
Wikoff et al. 2015b BinBase NIST11, BinBase
Moreno et al. 2018 – KEGG, HMDB
Moreno et al. 2018 – KEGG, HMDB
Sun et al. 2019 – BinBase, KEGG
Reference Difference method Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
Fahrmann et al. 2015 regress (by the covariates: age, gender and smoking history [packs per year]), permutation test 101 ± 64 141 ± 171 0.72 0.85 0.95 –
Fahrmann et al. 2015 regress (by the covariates: age, gender and smoking history [packs per year]), permutation test 105 ± 116 197 ± 242 0.53 0.05 0.26 –
Fahrmann et al. 2015 regress (by the covariates: age, gender and smoking history [packs per year]), permutation test 167 ± 237 108 ± 137 1.54 0.09 0.40 –
Fahrmann et al. 2015 regress (by the covariates: age, gender and smoking history [packs per year]), permutation test 269 ± 190 151 ± 84 1.78 0.00e+00 3.00e-03 –
Wikoff et al. 2015b OPLS-DA – – 2.20 – 1.00e-03 –
Moreno et al. 2018 paired two-sample t-test, PLS-DA – – 0.35 8.67e-11 7.61e-09 –
Moreno et al. 2018 paired two-sample t-test, PLS-DA – – 0.21 1.07e-13 1.78e-12 –
Sun et al. 2019 Student t test, PLS-DA – – 1.60 4.04e-03 0.03 0.24
Reference Classification method Cutoff value AUROC 95%CI Sensitivity (%) Specificity (%) Accuracy (%)
Fahrmann et al. 2015 random forest – maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline=0.699 (0.583, 0.815) maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline+pyrophosphate+tryptophan+adenosine-5-Phosphate=0.670 (0.552, 0.789) 30.2 maltose+maltotriose+cystine+3-Phosphoglycerate=61.6 72.1 maltose+maltotriose+cystine+3-Phosphoglycerate=76.7 51.2 maltose+maltotriose+cystine+3-Phosphoglycerate=69.2
Fahrmann et al. 2015 random forest – – – – –
Fahrmann et al. 2015 random forest – – – – –
Fahrmann et al. 2015 random forest – maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline=0.880 (0.805, 0.954) maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline+pyrophosphate+tryptophan+adenosine-5-Phosphate=0.883 (0.812, 0.955) – – 69.9 maltose+maltotriose+cystine+3-Phosphoglycerate=76.5
Wikoff et al. 2015b – – – – – –
Moreno et al. 2018 – – – – – –
Moreno et al. 2018 – – – – – –
Sun et al. 2019 ROC curve analysis – – – – –