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In-Silico Structure Database (LMISSD)

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Common Name

PS(31:0/17:1(9Z))

Systematic Name

1-hentriacontanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019E08

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

957.739787

Formula

C₅₄H₁₀₄NO₁₀P

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)

AIYDBGKRRFGXLU-WUYXCVMGSA-N

InChi (Click to copy)

InChI=1S/C54H104NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2/h16,18,50-51H,3-15,17,19-49,55H2,1-2H3,(H,58,59)(H,60,61)/b18-16-/t50-,51+/m1/s1

SMILES (Click to copy)

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