In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)])
Systematic Name
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BJ2U
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1579.050481
Formula
C91H152O17P2
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MDLMOL SDF CSV TSV PNG
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Main

Classification

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

String Representations

InChiKey (Click to copy)
MXEVWPRAKUVMAD-VJYNNGIZSA-N
InChi (Click to copy)
InChI=1S/C91H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(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(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-39,42-43,45-47,51-52,55-56,63-64,67-68,85-87,92H,5-9,11-13,15-20,23-24,27-32,40-41,44,48-50,53-54,57-62,65-66,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,55-51-,56-52-,67-63-,68-64-/t85-,86-,87-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCCC)=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)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O)=O

References

Other Databases