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In-Silico Structure Database (LMISSD)

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Common Name

GlcCer(d14:1(8E)/20:4(7E,10E,13E,16E))

Systematic Name

N-(7E,10E,13E,16E-eicosatetraenoyl)-1-β-glucosyl-8E-tetradecasphingenine

LM ID

LMSP05019AIK

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)

JRLVTLPFXSGLQQ-LOIFFGHNSA-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/h7,9,12-14,16-17,19-21,33-35,37-40,42-43,45-47H,3-6,8,10-11,15,18,22-32H2,1-2H3,(H,41,44)/b9-7+,14-13+,17-16+,20-19+,21-12+/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(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC