Record Information Version 1.0 Creation date 2010-04-08 22:08:23 UTC Update date 2018-05-28 23:21:03 UTC Primary ID FDB009054 Secondary Accession Numbers Not Available Chemical Information FooDB Name Calcium glycerophosphate Description calcium 3-(phosphonatooxy)propane-1,2-diol belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Based on a literature review very few articles have been published on calcium 3-(phosphonatooxy)propane-1,2-diol. CAS Number 27214-00-2 Structure ×
Structure for FDB009054 (Calcium glycerophosphate) Close
Synonyms Synonym Source Calcium glycerinophosphate ChEMBL Calcium glycerinophosphoric acid Generator Calcium glycerol 1-phosphoric acid Generator Calcium glycerophosphoric acid Generator Glycerophosphate, calcium MeSH Glycerolphosphates MeSH Glycerophosphates MeSH Calcium 1,3-hydroxypropyl phosphate biospider Calcium glycerino-phosphoricum biospider Calcium glycerophosphate (jan) biospider Calcium glycerophosphate (TN) biospider Calcium glycerophosphoricum biospider Glycerol, mono(dihydrogen phosphate), calcium salt (1:1) biospider
Predicted Properties Chemical Formula C3H7CaO6P IUPAC name calcium 3-(phosphonatooxy)propane-1,2-diol InChI Identifier InChI=1S/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2 InChI Key IWIRHXNCFWGFJE-UHFFFAOYSA-L Isomeric SMILES [Ca++].OCC(O)COP([O-])([O-])=O Average Molecular Weight 210.136 Monoisotopic Molecular Weight 209.960615623 Classification Description Belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Glycerophospholipids Sub Class Glycerophosphates Direct Parent Glycerophosphates Alternative Parents Substituents Sn-glycerol-3-phosphate Alkyl phosphate Phosphoric acid ester Organic phosphoric acid derivative Secondary alcohol 1,2-diol Organic calcium salt Organic oxygen compound Organic oxide Hydrocarbon derivative Organic salt Primary alcohol Organooxygen compound Alcohol Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors Not Available Ontology Ontology No ontology term Physico-Chemical Properties Physico-Chemical Properties - Experimental Property Value Reference Physical state Not Available Physical Description Not Available Mass Composition Not Available Melting Point Not Available Boiling Point Not Available Experimental Water Solubility 20 mg/mL MERCK INDEX (1996) Experimental logP Not Available Experimental pKa Not Available Isoelectric point Not Available Charge Not Available Optical Rotation Not Available Spectroscopic UV Data Not Available Density Not Available Refractive Index Not Available
Spectra Spectra EI-MS/GC-MS Not Available MS/MS Type Description Splash Key View Predicted MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-03di-0090000000-c92df1bca3039b36ebc4 2019-02-22 View Spectrum Predicted MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-03di-0090000000-c92df1bca3039b36ebc4 2019-02-22 View Spectrum Predicted MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-03di-0090000000-c92df1bca3039b36ebc4 2019-02-22 View Spectrum Predicted MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0a4i-0090000000-4fb80cf8db947dd3075e 2019-02-23 View Spectrum Predicted MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0a4i-0090000000-4fb80cf8db947dd3075e 2019-02-23 View Spectrum Predicted MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0a4i-0090000000-4fb80cf8db947dd3075e 2019-02-23 View Spectrum
NMR Not Available External Links ChemSpider ID Not Available ChEMBL ID Not Available KEGG Compound ID Not Available Pubchem Compound ID 62820 Pubchem Substance ID Not Available ChEBI ID Not Available Phenol-Explorer ID Not Available DrugBank ID Not Available HMDB ID Not Available CRC / DFC (Dictionary of Food Compounds) ID Not Available EAFUS ID 460 Dr. Duke ID Not Available BIGG ID Not Available KNApSAcK ID Not Available HET ID Not Available Food Biomarker Ontology Not Available VMH ID Not Available Flavornet ID Not Available GoodScent ID Not Available SuperScent ID Not Available Wikipedia ID Not Available Phenol-Explorer Metabolite ID Not Available Duplicate IDS Not Available Old DFC IDS Not Available Associated Foods Food Content Range Average Reference Food Reference
Biological Effects and Interactions Health Effects / Bioactivities Not Available Enzymes Not Available Pathways Not Available Metabolism Not Available Biosynthesis Not Available Organoleptic Properties Flavours Not Available Files MSDS Not Available References Synthesis Reference Not Available General Reference Not Available Content Reference 
