LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PA(12:0/20:4(6E,8Z,11Z,14Z)(5Ke))

Systematic Name

1-dodecanoyl-2-(5-Oxo-ETE)-sn-glycero-3-phosphate

LM ID

LMGP20079AE1

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

654.389673

Formula

C₃₅H₅₉O₉P

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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)

ZYSUMWCWJVXORN-IGJGTGKGSA-N

InChi (Click to copy)

InChI=1S/C35H59O9P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-26-32(36)27-25-29-35(38)44-33(31-43-45(39,40)41)30-42-34(37)28-24-22-20-17-12-10-8-6-4-2/h11,13,15-16,19,21,23,26,33H,3-10,12,14,17-18,20,22,24-25,27-31H2,1-2H3,(H2,39,40,41)/b13-11-,16-15-,21-19-,26-23+/t33-/m1/s1

SMILES (Click to copy)

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