LIPID MAPS

Common Name

GlcCer(d14:1(8E)/22:5(7Z,10Z,13Z,16Z,19Z))

Systematic Name

N-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-1-β-glucosyl-8E-tetradecasphingenine

LM ID

LMSP05019AIS

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

717.517969

Formula

C₄₂H₇₁NO₈

Download as...

MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

OQEGEUKIOTYMMH-KFMGKLBXSA-N

InChi (Click to copy)

InChI=1S/C42H71NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-12-10-8-6-4-2)34-50-42-41(49)40(48)39(47)37(33-44)51-42/h5,7,11-13,15-16,18-19,21-23,35-37,39-42,44-45,47-49H,3-4,6,8-10,14,17,20,24-34H2,1-2H3,(H,43,46)/b7-5-,13-11-,16-15-,19-18-,22-21-,23-12+/t35-,36+,37+,39+,40?,41?,42+/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\C/C=C\CC)=O)[C@]([H])(O)CCCC/C=C/CCCCC