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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018302

CL(1'-[18:2(9Z,12Z)/18:2(9Z,12Z)],3'-[16:0/16:0])

Formula: C77H142O17P2  |  Mol. Weight: 1401.90 g/mol

IUPAC: [(2R)-3-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

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Overview

Molecular Formula C77H142O17P2
Molecular Weight 1401.90 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)O)OC(=O)CCCCCCCCCCCCCCC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy