Chem
J-GLOBAL ID:200907064642271774   Nikkaji number:J442.592H

1,2,3-Propanetriol 1,3-dipalmitate 2-(4,7,10,13,16,19-docosahexaenoate)

1,2,3-プロパントリオール1,3-ジパルミタート2-(4,7,10,13,16,19-ドコサヘキサエノアート)
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C57H98O6
Molecular formula furigana: C57-H98-O6
Molecular weight: 879.405
InChI: InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3
InChI key: FBUBTADVAQJSNW-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
Systematic name  (4):
  • 1,2,3-プロパントリオール1,3-ジパルミタート2-(4,7,10,13,16,19-ドコサヘキサエノアート)
  • 1-O,3-O-ビス(ヘキサデカノイル)-2-O-(1-オキソ-4,7,10,13,16,19-ドコサヘキサエン-1-イル)グリセロール
  • 1,3-ビス(ヘキサデカノイルオキシ)プロパン-2-イル ドコサ-4,7,10,13,16,19-ヘキサエノアート
  • 1,3-bis(hexadecanoyloxy)propan-2-yl docosa-4,7,10,13,16,19-hexaenoate
Other name (2):
  • 1,2,3-Propanetriol 1,3-dipalmitate 2-(4,7,10,13,16,19-docosahexaenoate)
  • 1-O,3-O-Bis(hexadecanoyl)-2-O-(1-oxo-4,7,10,13,16,19-docosahexaene-1-yl)glycerol
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