LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PS(31:0/22:0)

Systematic Name

1-hentriacontanoyl-2-docosanoyl-sn-glycero-3-phosphoserine

LM ID

LMGP03019E2C

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

1029.833687

Formula

C₅₉H₁₁₆NO₁₀P

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)

OUOJVDAVOOQSPX-PLVVXOMOSA-N

InChi (Click to copy)

InChI=1S/C59H116NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-50-57(61)67-52-55(53-68-71(65,66)69-54-56(60)59(63)64)70-58(62)51-49-47-45-43-41-39-37-35-32-22-20-18-16-14-12-10-8-6-4-2/h55-56H,3-54,60H2,1-2H3,(H,63,64)(H,65,66)/t55-,56+/m1/s1

SMILES (Click to copy)

C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O