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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018314

1'-[1-(9Z,12Z-octadecadienoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol

Formula: C81H150O17P2  |  Mol. Weight: 1458.00 g/mol

IUPAC: [(2R)-1-[[(2R)-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] icosanoate

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Overview

Molecular Formula C81H150O17P2
Molecular Weight 1458.00 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy