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In-Silico Structure Database (LMISSD)

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Common Name

PS(32:0/18:1(13Z))

Systematic Name

1-dotriacontanoyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019E3O

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

985.771087

Formula

C₅₆H₁₀₈NO₁₀P

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".

Main

Classification

String Representations

InChiKey (Click to copy)

RKQPRQPMHROMLX-ZOZNUJJESA-N

InChi (Click to copy)

InChI=1S/C56H108NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-54(58)64-49-52(50-65-68(62,63)66-51-53(57)56(60)61)67-55(59)48-46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2/h10,12,52-53H,3-9,11,13-51,57H2,1-2H3,(H,60,61)(H,62,63)/b12-10-/t52-,53+/m1/s1

SMILES (Click to copy)

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