In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)],3'-[20:1(11Z)/20:4(5Z,8Z,11Z,14Z)])
Systematic Name
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-eicosenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BJZP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1555.050481
Formula
C89H152O17P2
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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)
HYMGDGMJEISRHT-ZAGMZRCBSA-N
InChi (Click to copy)
InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25,27,33-39,41,44-45,48,50,52,54,60,62,64,66,83-85,90H,5-20,22,24,26,28-32,40,42-43,46-47,49,51,53,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,27-23-,37-33-,38-34-,39-35-,44-41-,45-36-,52-48-,54-50-,64-60-,66-62-/t83-,84-,85-/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)=O)=O

References

Other Databases