LIPID MAPS

Common Name

PC(33:0/20:4(5E,8E,11E,14E))

Systematic Name

1-tritriacontanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine

LM ID

LMGP01019E6Q

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

1019.828207

Formula

C₆₁H₁₁₄NO₈P

Predict MS/MS spectrum (Neg. Mode)

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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".

Classification

String Representations

InChiKey (Click to copy)

UAAZBAPGSBGZEA-HXZPJJKHSA-N

InChi (Click to copy)

InChI=1S/C61H114NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-60(63)67-57-59(58-69-71(65,66)68-56-55-62(3,4)5)70-61(64)54-52-50-48-46-44-42-40-37-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,40,42,46,48,59H,6-14,16,18-20,22,24-39,41,43-45,47,49-58H2,1-5H3/b17-15+,23-21+,42-40+,48-46+/t59-/m1/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/CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O