LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

GlcCer(d17:2(4E,8E)/15:0(2OH[R]))

Systematic Name

N-(2R-hydroxypentadecanoyl)-1-β-glucosyl-4E,8E-heptadecasphingadienine

LM ID

LMSP05019JE3

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

685.512884

Formula

C₃₈H₇₁NO₉

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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)

WGYTZRWMBRFOIJ-WHTBYAGRSA-N

InChi (Click to copy)

InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,24,26,30-36,38,40-45H,3-16,19-23,25,27-29H2,1-2H3,(H,39,46)/b18-17+,26-24+/t30-,31+,32+,33+,34+,35?,36?,38+/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCC