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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018293

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

Formula: C79H146O17P2  |  Mol. Weight: 1429.90 g/mol

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

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Overview

Molecular Formula C79H146O17P2
Molecular Weight 1429.90 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)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