LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

DGDG(18:1(6Z)/14:0)

Systematic Name

1-(6Z-octadecenoyl),2-tetradecanoyl-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol

LM ID

LMGL05019GVV

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

890.596675

Formula

C₄₇H₈₆O₁₅

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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)

PDMXVLAEUGCURG-YJJNWFHTSA-N

InChi (Click to copy)

InChI=1S/C47H86O15/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-19-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h20-21,35-37,40-48,51-56H,3-19,22-34H2,1-2H3/b21-20-/t35-,36-,37-,40+,41+,42?,43?,44?,45?,46-,47-/m1/s1

SMILES (Click to copy)

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCC/C=C\CCCCCCCCCCC)=O