In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/18:0])
Systematic Name
1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-octadecanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201A68V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1573.003531
Formula
C91H146O17P2
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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)
MSXFLIFEVXZJLM-VCJMQDJXSA-N
InChi (Click to copy)
InChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,66,68,70,85-87,92H,5-9,12-13,16-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-,70-66-/t85-,86+,87+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O

References

Other Databases