LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

PI(12:0/13:2(9E,11E)(8Ke,13Ke))

Systematic Name

1-dodecanoyl-2-(8,13-dioxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphoinositol

LM ID

LMGP20059AD9

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

736.343513

Formula

C₃₄H₅₇O₁₅P

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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)

WYMSUOMMNBDTFT-CLVRLUNGSA-N

InChi (Click to copy)

InChI=1S/C34H57O15P/c1-2-3-4-5-6-7-8-9-15-20-27(37)46-23-26(48-28(38)21-16-11-10-13-18-25(36)19-14-12-17-22-35)24-47-50(44,45)49-34-32(42)30(40)29(39)31(41)33(34)43/h12,14,17,19,22,26,29-34,39-43H,2-11,13,15-16,18,20-21,23-24H2,1H3,(H,44,45)/b17-12+,19-14+/t26-,29?,30-,31?,32?,33?,34-/m1/s1

SMILES (Click to copy)

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