LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PI(10:0/18:2(10E,12Z)(9OH[R]))

Systematic Name

1-decanoyl-2-(9R-HODE)-sn-glycero-3-phosphoinositol

LM ID

LMGP20059AAK

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)

DIWUFUOOIRPVCY-QDRHZUEPSA-N

InChi (Click to copy)

InChI=1S/C37H67O14P/c1-3-5-7-9-11-14-18-22-28(38)23-19-15-13-17-21-25-31(40)50-29(26-48-30(39)24-20-16-12-10-8-6-4-2)27-49-52(46,47)51-37-35(44)33(42)32(41)34(43)36(37)45/h11,14,18,22,28-29,32-38,41-45H,3-10,12-13,15-17,19-21,23-27H2,1-2H3,(H,46,47)/b14-11-,22-18+/t28-,29+,32?,33+,34?,35?,36?,37+/m0/s1

SMILES (Click to copy)

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