In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)],3'-[18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)])
Systematic Name
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-2-di-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BJDY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1468.940931
Formula
C83H138O17P2
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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)
QFIJXZNRYLHPFQ-XSSUPEJWSA-N
InChi (Click to copy)
InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-36,38-41,45,47-48,50-51,54,56,60,77-79,84H,5-20,24,29-31,37,42-44,46,49,52-53,55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,32-28-,36-33-,39-38-,40-34-,41-35-,48-45-,51-47-,54-50-,60-56-/t77-,78-,79-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O

References

Other Databases