LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PC(14:0/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH))

Systematic Name

1-tetradecanoyl-2-(8-HDoHE)-sn-glycero-3-phosphocholine

LM ID

LMGP20019AIV

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

793.525772

Formula

C₄₄H₇₆NO₉P

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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)

QPRPMNTVZXXPBE-GUSDQTGRSA-N

InChi (Click to copy)

InChI=1S/C44H76NO9P/c1-6-8-10-12-14-16-18-20-21-23-25-29-33-41(46)34-30-27-28-32-36-44(48)54-42(40-53-55(49,50)52-38-37-45(3,4)5)39-51-43(47)35-31-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,25,27-30,34,41-42,46H,6-7,9,11-13,15,17-19,22-24,26,31-33,35-40H2,1-5H3/b10-8-,16-14-,21-20-,28-27-,29-25-,34-30+/t41?,42-/m1/s1

SMILES (Click to copy)

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