LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PS(10:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12})

Systematic Name

1-decanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphoserine

LM ID

LMGP20049AAX

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

745.380232

Formula

C₃₆H₆₀NO₁₃P

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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)

XHTCTDUCDYQTKD-RSUNDNQESA-N

InChi (Click to copy)

InChI=1S/C36H60NO13P/c1-3-5-7-9-11-13-15-19-34(40)46-23-26(24-47-51(44,45)48-25-29(37)36(42)43)49-35(41)20-16-18-32-33(50-32)21-28-27(30(38)22-31(28)39)17-14-12-10-8-6-4-2/h12,14,21,26-27,29-30,32-33,38H,3-11,13,15-20,22-25,37H2,1-2H3,(H,42,43)(H,44,45)/b14-12-,28-21+/t26-,27?,29+,30?,32?,33?/m1/s1

SMILES (Click to copy)

C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)CC(O)C/1C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O