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3-Phosphoglyceric Acid

PubChem CID: 724

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Compound Synonyms 3-phosphoglycerate, 820-11-1, 3-phosphoglyceric acid, glycerate 3-phosphate, 2-hydroxy-3-phosphonooxypropanoic acid, CHEBI:17050, Glyceric acid 3-phosphate, 2-hydroxy-3-(phosphonooxy)propanoic acid, 3-(dihydrogen phosphate)Glycerate, 3-Glycerophosphoric acid, 3-(dihydrogen phosphate)Glyceric acid, CHEMBL87788, Glyceric acid-3-phosphate, 3-P-D-glycerate, D-(-)-3-Phosphoglyceric acid, 3-P-glycerate, glycerate-3-P, 3-phospho-glycerate, 3-Glycerophosphorate, glycerate 3-phosphates, 3-pg, 3-phospho-glyceric acid, DL-Glycerate 3-phosphate, 3-PGA, SCHEMBL27482, DTXSID601002368, BDBM50469695, AKOS040744141, 2-oxidanyl-3-phosphonooxy-propanoic acid, HY-113491, (2R)-2-hydroxy-3-phosphonooxypropanoic acid, CS-0062388, NS00014807, Propanoic acid, 2-hydroxy-3-(phosphonooxy)-, C00597, A841756, Q32904835, 76C0138A-0EA9-4A51-B2C9-BAEC6DE64355
Topological Polar Surface Area 124.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 11.0
Pathway Kegg Map Id map00010, map00561, map00260
Description 3-phosphoglyceric acid (3PG) is a 3-carbon molecule that is a metabolic intermediate in both glycolysis and the Calvin cycle. This chemical is often termed PGA when referring to the Calvin cycle. In the Calvin cycle, two glycerate 3-phosphate molecules are reduced to form two molecules of glyceraldehyde 3-phosphate (GALP). (wikipedia) [HMDB]
Isotope Atom Count 0.0
Molecular Complexity 182.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id P07738, P15259, Q8N0Y7, P18669, P14621, P07311, P07205, P00558, Q8IVS8, Q6PCE3
Uniprot Id P07205
Iupac Name 2-hydroxy-3-phosphonooxypropanoic acid
Prediction Hob 0.0
Class Carbohydrates and carbohydrate conjugates
Xlogp -2.6
Superclass Organooxygen compounds
Subclass Sugar acids and derivatives
Molecular Formula C3H7O7P
Prediction Swissadme 0.0
Inchi Key OSJPPGNTCRNQQC-UHFFFAOYSA-N
Fcsp3 0.6666666666666666
Logs -0.041
Rotatable Bond Count 4.0
State Solid
Logd -1.155
Synonyms 3-(Dihydrogen ate)glycerate, 3-(Dihydrogen ate)glyceric acid, 3-(Dihydrogen ic acid)glyceric acid, 3-(dihydrogen phosphate)Glycerate, 3-(dihydrogen phosphate)Glyceric acid, 3-GlyceroOrate, 3-glycerooric acid, 3-Glycerophosphorate, 3-Glycerophosphoric acid, 3-O-(R)-Glycerate, 3-O-D-Glycerate, 3-O-Glycerate, 3-O-Glyceric acid, 3-Oglycerate, 3-Oglyceric acid, 3-P-D-glycerate, 3-P-glycerate, 3-pg, 3-PGA, 3-phospho-(R)-glycerate, 3-phospho-D-glycerate, 3-phospho-glycerate, 3-phospho-glyceric acid, 3-Phosphoglycerate, 3-Phosphoglyceric acid, D-(-)-3-Oglyceric acid, D-(-)-3-Phosphoglyceric acid, D-Glycerate 3-ate, D-Glycerate 3-phosphate, DL-Glycerate 3-ate, DL-Glyceric acid 3-ic acid, G3P, Glycerate 3-ate, Glycerate 3-ates, Glycerate 3-phosphate, glycerate-3-P, Glyceric acid 3-ate, Glyceric acid 3-ates, Glyceric acid 3-ic acid, Glyceric acid 3-phosphate, Oglycerate, Phosphoglycerate
Substituent Name Monoalkyl phosphate, Glyceric_acid, Alkyl phosphate, Phosphoric acid ester, Organic phosphoric acid derivative, Organic phosphate, Monosaccharide, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Carbonyl group, Alcohol, Aliphatic acyclic compound
Compound Name 3-Phosphoglyceric Acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 185.993
Formal Charge 0.0
Monoisotopic Mass 185.993
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 186.06
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol 0.9147528
Inchi InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
Smiles C(C(C(=O)O)O)OP(=O)(O)O
Nring 0.0
Defined Bond Stereocenter Count 0.0