In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[14:0/14:0],3'-[14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
Systematic Name
1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019AA8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1340.878331
Formula
C73H130O17P2
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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)
PZLLCZRKYUAXIE-WHJFEFAKSA-N
InChi (Click to copy)
InChI=1S/C73H130O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-35-36-40-44-48-52-56-60-73(78)90-69(64-84-71(76)58-54-50-46-42-38-27-23-19-15-11-7-3)66-88-92(81,82)86-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-39-28-24-20-16-12-8-4)63-83-70(75)57-53-49-45-41-37-26-22-18-14-10-6-2/h19,21,23,25,30-31,33-34,36,40,48,52,67-69,74H,5-18,20,22,24,26-29,32,35,37-39,41-47,49-51,53-66H2,1-4H3,(H,79,80)(H,81,82)/b23-19-,25-21-,31-30-,34-33-,40-36-,52-48-/t67-,68-,69-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=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\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O

References

Other Databases