In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[18:0/18:2(9Z,12Z)],3'-[16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
Systematic Name
1'-[1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019W6L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1474.987881
Formula
C83H144O17P2
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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

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]

String Representations

InChiKey (Click to copy)
QWRQAWUHBPZGIE-NJESXRSFSA-N
InChi (Click to copy)
InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,23,25,27-28,32-33,35-36,38-39,41,46,50,58,62,77-79,84H,5-8,10-12,14-20,22,24,26,29-31,34,37,40,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,27-23-,32-28-,36-33-,39-38-,41-35-,50-46-,62-58-/t77-,78+,79+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)=O

References

Other Databases