In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:4(5Z,8Z,11Z,14Z)/22:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)])
Systematic Name
1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-docosanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201A022
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1641.160031
Formula
C95H166O17P2
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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)
UDZWCMYUJIIZRX-GHUOQFFDSA-N
InChi (Click to copy)
InChI=1S/C95H166O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-44-46-50-54-58-62-66-70-74-78-82-95(100)112-91(86-106-93(98)80-76-72-68-64-60-56-52-48-40-36-32-28-24-20-16-12-8-4)88-110-114(103,104)108-84-89(96)83-107-113(101,102)109-87-90(85-105-92(97)79-75-71-67-63-59-55-51-47-39-35-31-27-23-19-15-11-7-3)111-94(99)81-77-73-69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h12,16,23-24,27-28,33,35-37,39-40,51-52,55-56,63-64,67-68,89-91,96H,5-11,13-15,17-22,25-26,29-32,34,38,41-50,53-54,57-62,65-66,69-88H2,1-4H3,(H,101,102)(H,103,104)/b16-12-,27-23-,28-24-,37-33-,39-35-,40-36-,55-51-,56-52-,67-63-,68-64-/t89-,90-,91-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O)=O

References

Other Databases