LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

GlcCer(d14:2(4E,6E)/20:3(5Z,8Z,11Z))

Systematic Name

N-(5Z,8Z,11Z-eicosatrienoyl)-1-β-glucosyl-4E,6E-tetradecasphingadienine

LM ID

LMSP05019AKO

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

691.502319

Formula

C₄₀H₆₉NO₈

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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)

DILAFYGPRAIBNY-ONFNOPFYSA-N

InChi (Click to copy)

InChI=1S/C40H69NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(44)41-33(34(43)29-27-25-23-21-12-10-8-6-4-2)32-48-40-39(47)38(46)37(45)35(31-42)49-40/h15-16,18-19,22-25,27,29,33-35,37-40,42-43,45-47H,3-14,17,20-21,26,28,30-32H2,1-2H3,(H,41,44)/b16-15-,19-18-,24-22-,25-23+,29-27+/t33-,34+,35+,37+,38?,39?,40+/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC