Metabolite page

Showing information for HMDB0000807 ('3-phosphoglycerate')

Metabolite information
HMDB ID	HMDB0000807
Synonyms	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-[Dihydrogen phosphate]glycerate 3-[Dihydrogen phosphate]glyceric acid 3-[Dihydrogen phosphoric acid]glyceric acid 3-phospho-D-Glycerate 3-phospho-Glycerate 3-phospho-Glyceric acid 3-phospho-[R]-Glycerate Aerobic glycolysis Cytoplasma D-Glycerate 3-phosphate D-[-]-3-Phosphoglyceric acid 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 Prostate gland
Chemical formula	C3H7O7P
IUPAC name	2-hydroxy-3-(phosphonooxy)propanoic acid
CAS registry number	820-11-1
Monisotopic molecular weight	185.99293909
Chemical taxonomy
Super class	Organic oxygen compounds
Class	Organooxygen compounds
Sub class	Carbohydrates and carbohydrate conjugates
Biological properties
Pahtways	3-Phosphoglycerate dehydrogenase deficiency D-glyceric acidura Dihydropyrimidine Dehydrogenase Deficiency [DHPD] Dimethylglycine Dehydrogenase Deficiency Dimethylglycine Dehydrogenase Deficiency Familial lipoprotein lipase deficiency Fanconi-bickel syndrome Fructose-1,6-diphosphatase deficiency Gluconeogenesis Glycerol Kinase Deficiency Glycerolipid Metabolism Glycine and Serine Metabolism Glycogen Storage Disease Type 1A [GSD1A] or Von Gierke Disease Glycogen synthetase deficiency Glycogenosis, Type IA. Von gierke disease Glycogenosis, Type IB Glycogenosis, Type IC Glycogenosis, Type III. Cori disease, Debrancher glycogenosis Glycogenosis, Type IV. Amylopectinosis, Anderson disease Glycogenosis, Type VI. Hers disease Glycogenosis, Type VII. Tarui disease Glycolysis Hyperglycinemia, non-ketotic Mucopolysaccharidosis VI. Sly syndrome Non Ketotic Hyperglycinemia Phosphoenolpyruvate carboxykinase deficiency 1 [PEPCK1] Sarcosinemia Starch and Sucrose Metabolism Sucrase-isomaltase deficiency Triosephosphate isomerase Warburg Effect
Author-emphasized biomarker in the paper(s)	Fahrmann et al. 2015

Lung cancer metabolomics studies that identify HMDB0000807 ('3-phosphoglycerate')

Reference	Country	Specimen	Marker function	Participants (Case)						Participants (Control)
Reference	Country	Specimen	Marker function	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

Reference	Country	Specimen	Marker function	Participants (Case)						Participants (Control)
Reference	Country	Specimen	Marker function	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	–	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	–	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	–	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	–	plasma	diagnosis	adenocarcinoma	I, II, III, IV	52	17, 35	65.9 ± 9.66	–	healthy	31	11, 20	64.1 ± 8.97	–
Moreno et al. 2018	–	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	–	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	–
Wikoff et al. 2015b	–	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

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	–
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Wikoff et al. 2015b	GC	EI	–	TOF	–

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
Moreno et al. 2018	–	KEGG, HMDB
Moreno et al. 2018	–	KEGG, HMDB
Wikoff et al. 2015b	BinBase	NIST11, BinBase

Differential analysis
Classification analysis

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	0.846	0.947	–
Fahrmann et al. 2015	regress (by the covariates: age, gender and smoking history [packs per year]), permutation test	167 ± 237	108 ± 137	1.54	0.092	0.403	–
Fahrmann et al. 2015	regress (by the covariates: age, gender and smoking history [packs per year]), permutation test	105 ± 116	197 ± 242	0.532	0.048	0.255	–
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	0.003	–
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	0.349401236514897	0.0000000000866971070566599	0.00000000761200599957474	–
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	0.210463355989983	0.000000000000107265202611819	0.00000000000178328399342149	–
Wikoff et al. 2015b	OPLS-DA	–	–	2.2	–	0.001	–

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
Moreno et al. 2018	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Wikoff et al. 2015b	–	–	–	–	–	–