LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PS(10:0/20:4(5Z,7E,11Z,14Z)(9Ke))

Systematic Name

1-decanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phosphoserine

LM ID

LMGP20049AAZ

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

713.390402

Formula

C₃₆H₆₀NO₁₁P

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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)

ZVBHMQJPMACLHQ-GYIGWJLFSA-N

InChi (Click to copy)

InChI=1S/C36H60NO11P/c1-3-5-7-9-11-12-14-16-20-24-31(38)25-21-17-15-19-23-27-35(40)48-32(29-46-49(43,44)47-30-33(37)36(41)42)28-45-34(39)26-22-18-13-10-8-6-4-2/h11-12,15-17,20-21,25,32-33H,3-10,13-14,18-19,22-24,26-30,37H2,1-2H3,(H,41,42)(H,43,44)/b12-11-,17-15-,20-16-,25-21+/t32-,33+/m1/s1

SMILES (Click to copy)

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