In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[16:0/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
Systematic Name
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho],3'-[1-docosenyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019OEZ
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)
QHINPYJVSVBSQU-UJMLFPBGSA-N
InChi (Click to copy)
InChI=1S/C89H152O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-45-42-40-37-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-38-35-31-27-23-19-15-11-7-3/h10-11,14-15,22-23,26-27,34-35,37-38,42,45,47,51-52,56,59,63-64,68,83-85,90H,5-9,12-13,16-21,24-25,28-33,36,39-41,43-44,46,48-50,53-55,57-58,60-62,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,15-11-,26-22-,27-23-,37-34-,38-35-,45-42-,51-47-,56-52-,63-59-,68-64-/t83-,84-,85-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCC)=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)CCCCCCCCCCCCCCCCCCCCC)(O)=O)=O

References

Other Databases