LIPID MAPS

Common Name

SQDG(20:4(7E,10E,13E,16E)/16:1(7Z))

Systematic Name

1-(7E,10E,13E,16E-eicosatetraenoyl),2-(7Z-hexadecenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol

LM ID

LMGL05019N18

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

840.505752

Formula

C₄₅H₇₆O₁₂S

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)

BAIQBGQQPJYWSX-CITSNOKASA-N

InChi (Click to copy)

InChI=1S/C45H76O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h7,9,13,15,18-19,21-24,38-39,42-45,48-50H,3-6,8,10-12,14,16-17,20,25-37H2,1-2H3,(H,51,52,53)/b9-7+,15-13+,19-18+,23-22+,24-21-/t38-,39-,42-,43?,44?,45-/m1/s1

SMILES (Click to copy)

C(O[C@@H]1O[C@H](CS(=O)(O)=O)[C@@H](O)C(O)C1O)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O