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In-Silico Structure Database (LMISSD)

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Common Name

MGDG(10:0/20:4(5E,8E,11E,14E))

Systematic Name

1-decanoyl,2-(5E,8E,11E,14E-eicosatetraenoyl)-3-3-O-β-D-galactosyl-sn-glycerol

LM ID

LMGL05019ABI

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

694.465600

Formula

C₃₉H₆₆O₁₀

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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)

FVPILQHNAGXRSB-UOAWZAFUSA-N

InChi (Click to copy)

InChI=1S/C39H66O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(42)48-32(30-46-34(41)27-25-23-21-10-8-6-4-2)31-47-39-38(45)37(44)36(43)33(29-40)49-39/h11-12,14-15,17-18,20,22,32-33,36-40,43-45H,3-10,13,16,19,21,23-31H2,1-2H3/b12-11+,15-14+,18-17+,22-20+/t32-,33-,36+,37?,38?,39-/m1/s1

SMILES (Click to copy)

C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)COC(CCCCCCCCC)=O