LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PC(14:0/20:4(5Z,8Z,11Z,13E)(15OH[S]))

Systematic Name

1-tetradecanoyl-2-(15S-HETE)-sn-glycero-3-phosphocholine

LM ID

LMGP20019AIO

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

769.525772

Formula

C₄₂H₇₆NO₉P

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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)

ALFDIDLWEZWVNS-QKSIJPTDSA-N

InChi (Click to copy)

InChI=1S/C42H76NO9P/c1-6-8-10-11-12-13-15-19-22-25-29-33-41(45)49-37-40(38-51-53(47,48)50-36-35-43(3,4)5)52-42(46)34-30-26-23-20-17-14-16-18-21-24-28-32-39(44)31-27-9-7-2/h14,16,20-21,23-24,28,32,39-40,44H,6-13,15,17-19,22,25-27,29-31,33-38H2,1-5H3/b16-14-,23-20-,24-21-,32-28+/t39-,40+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)=O)COC(CCCCCCCCCCCCC)=O