In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:0/22:0],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)])
Systematic Name
1'-[1-eicosanoyl-2-docosanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201AQJ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1675.238281
Formula
C97H176O17P2
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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)
OFNOOQOBHXNBJA-MMIPMYHTSA-N
InChi (Click to copy)
InChI=1S/C97H176O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-45-48-52-56-60-64-68-72-76-80-84-97(102)114-93(88-108-95(100)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)90-112-116(105,106)110-86-91(98)85-109-115(103,104)111-89-92(87-107-94(99)81-77-73-69-65-61-57-53-49-40-36-32-28-24-20-16-12-8-4)113-96(101)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h10,14,22,26,33-34,37-38,46,50,58,62,70,74,91-93,98H,5-9,11-13,15-21,23-25,27-32,35-36,39-45,47-49,51-57,59-61,63-69,71-73,75-90H2,1-4H3,(H,103,104)(H,105,106)/b14-10-,26-22-,37-33-,38-34-,50-46-,62-58-,74-70-/t91-,92-,93-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC/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