LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PI(10:0/18:2(9Z,11E)(13OH[S]))

Systematic Name

1-decanoyl-2-(13S-HODE)-sn-glycero-3-phosphoinositol

LM ID

LMGP20059AAP

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

766.426848

Formula

C₃₇H₆₇O₁₄P

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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)

BJYXXCLXPQFNLU-GUQWAZELSA-N

InChi (Click to copy)

InChI=1S/C37H67O14P/c1-3-5-7-8-12-16-20-24-30(39)48-26-29(27-49-52(46,47)51-37-35(44)33(42)32(41)34(43)36(37)45)50-31(40)25-21-17-14-11-9-10-13-15-19-23-28(38)22-18-6-4-2/h13,15,19,23,28-29,32-38,41-45H,3-12,14,16-18,20-22,24-27H2,1-2H3,(H,46,47)/b15-13-,23-19+/t28-,29+,32?,33+,34?,35?,36?,37+/m0/s1

SMILES (Click to copy)

[C@]([H])(OC(CCCCCCC/C=C\C=C\[C@@H](O)CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O