LIPID MAPS

Common Name

PC(33:0/22:5(4Z,7Z,10Z,13Z,16Z))

Systematic Name

1-tritriacontanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine

LM ID

LMGP01019E62

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

1045.843857

Formula

C₆₃H₁₁₆NO₈P

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)

BTICGUSCWGMFQR-YHKJOCKKSA-N

InChi (Click to copy)

InChI=1S/C63H116NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-55-62(65)69-59-61(60-71-73(67,68)70-58-57-64(3,4)5)72-63(66)56-54-52-50-48-46-44-42-40-37-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,37,40,44,46,50,52,61H,6-14,16,18-20,22,24-36,38-39,41-43,45,47-49,51,53-60H2,1-5H3/b17-15-,23-21-,40-37-,46-44-,52-50-/t61-/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\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O