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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018309

CL(1'-[18:2(9Z,12Z)/18:2(9Z,12Z)],3'-[18:1(9Z)/18:1(9Z)])

Formula: C81H146O17P2  |  Mol. Weight: 1454.00 g/mol

IUPAC: [(2R)-3-[[(2S)-3-[[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

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Overview

Molecular Formula C81H146O17P2
Molecular Weight 1454.00 g/mol
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy