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Glyceryl Monolinoleate

PubChem CID: 5283469

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Compound Synonyms Glyceryl monolinoleate, 1-Monolinolein, 1-Linoleoyl-rac-glycerol, 2277-28-3, Glycerol 1-monolinolate, 1-Linoleylglycerol, Monolinolein, 26545-74-4, 2,3-Dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate, 1-Glyceryl linoleate, Glycerol monolinoleate, Linolein, mono-, Emalsy MU, Glyceryl linoleate, glyceryl 1-linoleate, Linolein, 1-mono-, 1-Monolinoleoyl-rac-glycerol, Rikemal MU 100, Sunsoft 8090, 2,3-Dihydroxypropyl linoleate, Linoleic acid monoglyceride, Glyceryl monolinoleate [NF], 1-linoleoylglycerol, 1-Linoleoyl Glycerol, Glycerin monolinoleate, EINECS 247-788-4, Oleinate 288, .alpha.-Glyceryl linoleate, 1-(9Z,12Z-octadecadienoyl)-rac-glycerol, 9,12-Octadecadienoic acid (Z,Z)-, 2,3-dihydroxypropyl ester, CHEBI:75565, CHEBI:75568, (9Z,12Z)-Octadeca-9,12-dienoic acid, monoester with glycerol, 4763AXI84L, DTXSID201016719, 1-([cis,cis]-9,12-octadecadienoyl)-rac-glycerol, MAG 18:2, MG(18:2(9Z,12Z)/0:0/0:0)[rac], 1-O-(9Z,12Z-octadecadienoyl)glycerol, MG(18:2/0:0/0:0)[rac], 9,12-Octadecadienoic acid (9Z,12Z)-, 2,3-dihydroxypropyl ester, (9Z,12Z)-2,3-Dihydroxypropyl octadeca-9,12-dienoate, octadeca-9,12-dienoic acid-(2,3-dihydroxy-propyl ester), (+/-)-2,3-DIHYDROXYPROPYL 9(Z),12(Z)-OCTADECADIENOATE, 9,12-Octadecadienoic acid (9Z,12Z)-, monoester with 1,2,3-propanetriol, 9,12-Octadecadienoic acid, (Z,Z)-, monoester with 1,2,3-propanetriol, GLYCERYL MONOLINOLEATE (USP-RS), GLYCERYL MONOLINOLEATE [USP-RS], GLYCEROL MONOLINOLEATE (EP MONOGRAPH), GLYCEROL MONOLINOLEATE [EP MONOGRAPH], MGG581HK1Y, UNII-4763AXI84L, mLG cpd, DL-1-linoleoylglycerol, starbld0003357, (+-)-1-monolinolein, GYLCERYL LINOLEATE, rac-1-monolinoleoylglycerol, .ALPHA.-MONOLINOLEIN, SCHEMBL154133, (+-)-glycerol 1-monolinolate, CHEMBL458250, glyceryl linoleic acid monoester, MEGxm0_000079, ACon0_000668, ACon1_001767, DTXCID601474905, DTXSID401054644, LMGL01010006, 1-(9Z,12Z-octadecadienoyl)-glycerol, AKOS027282618, rac-(9Z,12Z)-octadecadienoylglycerol, FL24901, NCGC00180163-01, BP-29877, DA-59941, PD057924, 1-Linoleoyl-rac-glycerol, >=97%, liquid, DB-250439, HY-111346, CS-0035304, NS00013703, E85113, BRD-A82699780-001-01-1, Q27881752, 2,3-Dihydroxypropyl (9Z,12Z)-9,12-octadecadienoate #, rac-2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate, (+-)-2,3-dihydroxypropyl (9Z,12Z)-9,12-octadecadienoate, (9Z,12Z)-Octadeca-9,12-dienoic acid,monoester with glycerol, (9Z,12Z)-9,12-Octadecadienoic acid 2,3-dihydroxypropyl ester, 1-monolinoleoyl-rac-glycerol, 9,12-OCTADECADIENOIC ACID (Z,Z)-, MONOESTER WITH 1,2,3-PROPANETRIOL
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 350.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate
Prediction Hob 0.0
Class Fatty Acyls
Xlogp 5.8
Superclass Lipids and lipid-like molecules
Subclass Lineolic acids and derivatives
Molecular Formula C21H38O4
Prediction Swissadme 0.0
Inchi Key WECGLUPZRHILCT-HZJYTTRNSA-N
Fcsp3 0.7619047619047619
Logs -3.456
Rotatable Bond Count 18.0
Logd 3.671
Synonyms (+-)-1-Monolinolein, (+-)-2,3-Dihydroxypropyl (9Z,12Z)-9,12-octadecadienoate, (+-)-Glycerol 1-monolinolate, 1-(9Z,12Z-Octadecadienoyl)-rac-glycerol, 1-Monolinoleoyl-rac-glycerol, DL-1-Linoleoylglycerol, Linoleoyl monoglyceride racemic mixture, MG(18:2(9Z,12Z)/0:0/0:0)[rac], rac-(9Z,12Z)-Octadecadienoylglycerol, (+-)-2,3-Dihydroxypropyl (9Z,12Z)-9,12-octadecadienoic acid, (+-)-Glycerol 1-monolinolic acid, Glyceryl monolinoleic acid, Glyceryl linoleic acid monoester, Monolinolein, MLG CPD
Compound Name Glyceryl Monolinoleate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 354.277
Formal Charge 0.0
Monoisotopic Mass 354.277
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 354.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aliphatic acyclic compounds
Esol -4.497792199999999
Inchi InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
Smiles CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O
Nring 0.0
Defined Bond Stereocenter Count 2.0
Taxonomy Direct Parent Lineolic acids and derivatives