LIPID MAPS

In-Silico Structure Database (LMISSD)

View 3D

Common Name

PS(14:1(9Z)/20:4(6E,8Z,11Z,14Z)(5Ke))

Systematic Name

1-(9Z-tetradecenoyl)-2-(5-Oxo-ETE)-sn-glycero-3-phosphoserine

LM ID

LMGP20049AKP

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

767.437352

Formula

C₄₀H₆₆NO₁₁P

Download as...

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)

QBNARYUSPJOUIW-DIXITYSZSA-N

InChi (Click to copy)

InChI=1S/C40H66NO11P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-28-35(42)29-27-31-39(44)52-36(33-50-53(47,48)51-34-37(41)40(45)46)32-49-38(43)30-26-24-22-20-17-14-12-10-8-6-4-2/h10-13,16,18,21,23,25,28,36-37H,3-9,14-15,17,19-20,22,24,26-27,29-34,41H2,1-2H3,(H,45,46)(H,47,48)/b12-10-,13-11-,18-16-,23-21-,28-25+/t36-,37+/m1/s1

SMILES (Click to copy)

C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O