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Elaidolinolenic acid

PubChem CID: 5282822

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Compound Synonyms Elaidolinolenic acid, linolenelaidic acid, 28290-79-1, (9E,12E,15E)-octadeca-9,12,15-trienoic acid, UNII-PO45E3L8YU, PO45E3L8YU, 9E,12E,15E-octadecatrienoic acid, (9E,12E,15E)-9,12,15-Octadecatrienoic acid, (E,E,E)-9,12,15-Octadecatrienoic acid, C18:3n-3,6,9, 9,12,15-Octadecatrienoic acid, (E,E,E)-, trans-9, trans-12, trans-15-octadecatrienoic acid, (ALL TRANS)-9,12,15-OCTADECATRIENOIC ACID, 9,12,15-Octadecatrienoic acid, (9E,12E,15E)-, linolensaure, -linolenic acid, EINECS 217-792-0, delta9,12,15-Octadecatrienoic acid, SCHEMBL46586, CHEMBL5288293, CHEBI:92583, CHEBI:165492, DTXSID401315640, BBL027460, LMFA01030153, STK801963, AKOS015955691, LS-14677, cis-9,cis-12,cis-15 Octadecadienoic acid, (9E,12E,15E)-9,12,15-Octadecatrienoate, Q27286664
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 301.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (9E,12E,15E)-octadeca-9,12,15-trienoic acid
Prediction Hob 1.0
Xlogp 5.9
Molecular Formula C18H30O2
Prediction Swissadme 0.0
Inchi Key DTOSIQBPPRVQHS-IUQGRGSQSA-N
Fcsp3 0.6111111111111112
Logs -4.251
Rotatable Bond Count 13.0
Logd 4.251
Compound Name Elaidolinolenic acid
Prediction Hob Swissadme 0.0
Exact Mass 278.225
Formal Charge 0.0
Monoisotopic Mass 278.225
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 278.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 3.0
Esol -4.7781031999999986
Inchi InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
Smiles CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O
Nring 0.0
Defined Bond Stereocenter Count 3.0