LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PC(14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))

Systematic Name

1-tetradecanoyl-2-(14-HDoHE)-sn-glycero-3-phosphocholine

LM ID

LMGP20019AIW

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)

TYJYKEYAOVFVAE-GXSCBLGRSA-N

InChi (Click to copy)

InChI=1S/C44H76NO9P/c1-6-8-10-12-14-15-16-20-23-27-31-35-43(47)51-39-42(40-53-55(49,50)52-38-37-45(3,4)5)54-44(48)36-32-28-24-21-18-17-19-22-26-30-34-41(46)33-29-25-13-11-9-7-2/h9,11,17-18,22,24-26,28-30,34,41-42,46H,6-8,10,12-16,19-21,23,27,31-33,35-40H2,1-5H3/b11-9-,18-17-,26-22-,28-24-,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\C/C=C\C=C\C(O)C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCC)=O