LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PA(24:0/18:2(2E,4E))

Systematic Name

1-tetracosanoyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphate

LM ID

LMGP10019D7L

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

784.598208

Formula

C₄₅H₈₅O₈P

Predict MS/MS spectrum (Neg. Mode)

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MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

HRXPGAVWMUIKIB-KVMFFLKYSA-N

InChi (Click to copy)

InChI=1S/C45H85O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h34,36,38,40,43H,3-33,35,37,39,41-42H2,1-2H3,(H2,48,49,50)/b36-34+,40-38+/t43-/m1/s1

SMILES (Click to copy)

[C@](COP(=O)(O)O)([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCC)=O