1.02010-04-08 22:05:52 UTC2019-11-26 02:59:23 UTCFDB003577Calcium oxalateCalcium oxalate, also known as calcium oxalate monohydrate or calcium oxalic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Calcium oxalate is soluble (in water) and a moderately acidic compound (based on its pKa). Calcium oxalate can be found in a number of food items such as taro, ginkgo nuts, caraway, and sweet potato, which makes calcium oxalate a potential biomarker for the consumption of these food products. Calcium oxalate (in archaic terminology, oxalate of lime) is a calcium salt of oxalate with the chemical formula CaC2O4(H2O)x, where x can vary. All forms are colorless or white. The monohydrate occurs naturally as the mineral whewellite, forming envelope-shaped crystals, known in plants as raphides. The rarer dihydrate (mineral: weddellite) and trihydrate (mineral: caoxite) are also recognized. Calcium oxalates are as major constituent of human kidney stones, calcium oxalate is also found in beerstone, a scale that forms on containers used in breweries .C2CaO4128.096127.9422494calcium oxalatecalcium oxalate563-72-4[Ca++].[O-]C(=O)C([O-])=OInChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2QXDMQSPYEZFLGF-UHFFFAOYSA-L belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.Dicarboxylic acids and derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesDicarboxylic acids and derivativesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid saltsCarboxylic acidsHydrocarbon derivativesOrganic calcium saltsOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid saltDicarboxylic acid or derivativesHydrocarbon derivativeOrganic calcium saltOrganic oxideOrganic oxygen compoundOrganic saltOrganooxygen compoundorganic calcium saltlogp0.31logs-1.05solubility1.62e+01 g/llogp-0.26pka_strongest_acidic1.36iupaccalcium oxalateaverage_mass128.096mono_mass127.9422494smiles[Ca++].[O-]C(=O)C([O-])=OformulaC2CaO4inchiInChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2inchikeyQXDMQSPYEZFLGF-UHFFFAOYSA-Lpolar_surface_area80.26refractivity36.11polarizability5.46rotatable_bond_count1acceptor_count4donor_count0physiological_charge-2formal_charge0Specdb::MsMs1264630Specdb::MsMs1264631Specdb::MsMs1264632AllspiceType 1specificPimenta dioica375272AlmondType 1specificPrunus dulcis3755American pokeweedType 1specificPhytolacca americana3527AppleType 1specificMalus pumila283210Black elderberryType 1specificSambucus nigra4202CarawayType 1specificCarum carvi48032CassavaType 1specificManihot esculenta398333.7533.7533.75mg/100 gCeylon cinnamonType 1specificCinnamomum verum128608Chinese cinnamonType 1specificCinnamomum aromaticum119260ClovesType 1specificSyzygium aromaticum219868Common peaType 1specificPisum sativum3888Garden onionType 1specificAllium cepa4679Garden rhubarbType 1specificRheum rhabarbarum3621Ginkgo nutsType 1specificGinkgo biloba3311GuavaType 1specificPsidium guajava120290PomegranateType 1specificPunica granatum226634000.04000.04000.0mg/100 gPurslaneType 1specificPortulaca oleracea46147RoselleType 1specificHibiscus sabdariffa183260Soft-necked garlicType 1specificAllium sativum L. var. sativum4682Sweet potatoType 1specificIpomoea batatas412032.032.032.0mg/100 gTaroType 1specificColocasia esculenta4460221.5400.043.0mg/100 gYautiaType 1specificXanthosoma sagittifolium2847847.547.547.5mg/100 gemetic899inflammatory1034laxative1065An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.lithogenic1078