LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PS(32:0/15:1(9Z))

Systematic Name

1-dotriacontanoyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019E3E

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

943.724137

Formula

C₅₃H₁₀₂NO₁₀P

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)

PKBNBYKGGJZWNJ-HRMKGTCBSA-N

InChi (Click to copy)

InChI=1S/C53H102NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-51(55)61-46-49(47-62-65(59,60)63-48-50(54)53(57)58)64-52(56)45-43-41-39-37-34-16-14-12-10-8-6-4-2/h12,14,49-50H,3-11,13,15-48,54H2,1-2H3,(H,57,58)(H,59,60)/b14-12-/t49-,50+/m1/s1

SMILES (Click to copy)

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