1.02010-04-08 22:12:59 UTC2019-11-26 03:14:35 UTCFDB017272TriricinoleinIsolated from castor oil (Ricinus communis). Triricinolein is found in fats and oils.1,2,3-Propanetriol tri(12-hydroxy-9-octadecenoate)12-Hydroxy-9-octadecenoic acid, 1,2,3-propanetriyl ester9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl esterGlycerol triricinoleateGlyceryl triricinoleateRicinoleinRicinolein, tri-Tri-ricinoleinTriricinoleinC57H104O9933.4303932.7680349262-{[(9E)-12-hydroxyoctadec-9-enoyl]oxy}-3-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z)-12-hydroxyoctadec-9-enoate2-{[(9E)-12-hydroxyoctadec-9-enoyl]oxy}-3-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z)-12-hydroxyoctadec-9-enoate2540-54-7CCCCCCC(O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CC(O)CCCCCC)OC(=O)CCCCCCC\C=C\CC(O)CCCCCCInChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27+ZEMPKEQAKRGZGQ-YAFIDQONSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.TriacylglycerolsOrganic compoundsLipids and lipid-like moleculesGlycerolipidsTriradylcglycerolsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersFatty alcoholsHydrocarbon derivativesOrganic oxidesSecondary alcoholsTricarboxylic acids and derivativesAlcoholAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylFatty alcoholHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundSecondary alcoholTriacyl-sn-glycerolTricarboxylic acid or derivativeslogp9.54logs-7.41solubility3.64e-05 g/llogp16.35pka_strongest_acidic18.4pka_strongest_basic-0.83iupac2-{[(9E)-12-hydroxyoctadec-9-enoyl]oxy}-3-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z)-12-hydroxyoctadec-9-enoateaverage_mass933.4303mono_mass932.768034926smilesCCCCCCC(O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CC(O)CCCCCC)OC(=O)CCCCCCC\C=C\CC(O)CCCCCCformulaC57H104O9inchiInChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27+inchikeyZEMPKEQAKRGZGQ-YAFIDQONSA-Npolar_surface_area139.59refractivity277.25polarizability121.04rotatable_bond_count53acceptor_count6donor_count3physiological_charge0formal_charge0Specdb::MsMs672847Specdb::MsMs672848Specdb::MsMs672849Specdb::MsMs2654753Specdb::MsMs2654754Specdb::MsMs2654755Specdb::MsMs2823848Specdb::MsMs2823849Specdb::MsMs2823850Specdb::MsMs2854831Specdb::MsMs2854832Specdb::MsMs2854833Specdb::MsMs3104333Specdb::MsMs3104334Specdb::MsMs3104335Specdb::MsMs3107591Specdb::MsMs3107592Specdb::MsMs3107593HMDB38061#<Reference:0x0000555674ea8df8>#<Reference:0x0000555674ea8ad8>#<Reference:0x0000555674ea87e0>#<Reference:0x0000555674ea8448>#<Reference:0x0000555674ea81a0>#<Reference:0x0000555674e93de0>#<Reference:0x0000555674e93bb0>#<Reference:0x0000555674e938e0>#<Reference:0x0000555674e93660>#<Reference:0x0000555674e932f0>#<Reference:0x0000555674e930c0>#<Reference:0x0000555674e92e68>#<Reference:0x0000555674e92bc0>#<Reference:0x0000555674e92940>Fats and oilsUnknowngeneric