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In-Silico Structure Database (LMISSD)

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Common Name

GlcCer(d14:2(4E,6E)/35:0)

Systematic Name

N-(pentatriacontanoyl)-1-β-glucosyl-4E,6E-tetradecasphingadienine

LM ID

LMSP05019ALO

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

907.784019

Formula

C₅₅H₁₀₅NO₈

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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)

CTPOABPSIYWOSA-YCJFTWKPSA-N

InChi (Click to copy)

InChI=1S/C55H105NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-51(59)56-48(49(58)44-42-40-38-36-12-10-8-6-4-2)47-63-55-54(62)53(61)52(60)50(46-57)64-55/h38,40,42,44,48-50,52-55,57-58,60-62H,3-37,39,41,43,45-47H2,1-2H3,(H,56,59)/b40-38+,44-42+/t48-,49+,50+,52+,53?,54?,55+/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC