LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PG(10:0/20:4(5Z,7E,11Z,14Z)(9Ke))

Systematic Name

1-decanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phospho-(1'-sn-glycerol)

LM ID

LMGP20069AAZ

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

700.395153

Formula

C₃₆H₆₁O₁₁P

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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)

BFSBYKNYKVQDRK-RBEUATSASA-N

InChi (Click to copy)

InChI=1S/C36H61O11P/c1-3-5-7-9-11-12-14-16-20-24-32(38)25-21-17-15-19-23-27-36(41)47-34(31-46-48(42,43)45-29-33(39)28-37)30-44-35(40)26-22-18-13-10-8-6-4-2/h11-12,15-17,20-21,25,33-34,37,39H,3-10,13-14,18-19,22-24,26-31H2,1-2H3,(H,42,43)/b12-11-,17-15-,20-16-,25-21+/t33-,34+/m0/s1

SMILES (Click to copy)

[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O