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In-Silico Structure Database (LMISSD)

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Common Name

GlcCer(d14:2(4E,8E)/18:3(9Z,12Z,15Z))

Systematic Name

N-(9Z,12Z,15Z-octadecatrienoyl)-1-β-glucosyl-4E,8E-tetradecasphingadienine

LM ID

LMSP05019AMO

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

663.471019

Formula

C₃₈H₆₅NO₈

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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)

UTBSOPOXNXADSM-MIHKWTBCSA-N

InChi (Click to copy)

InChI=1S/C38H65NO8/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(42)39-31(32(41)27-25-23-21-19-12-10-8-6-4-2)30-46-38-37(45)36(44)35(43)33(29-40)47-38/h5,7,11-13,15-16,19,25,27,31-33,35-38,40-41,43-45H,3-4,6,8-10,14,17-18,20-24,26,28-30H2,1-2H3,(H,39,42)/b7-5-,13-11-,16-15-,19-12+,27-25+/t31-,32+,33+,35+,36?,37?,38+/m0/s1

SMILES (Click to copy)

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