In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[16:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)])
Systematic Name
1'-[1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(9Z,12Z,15Z-octadecatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019TCL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1442.925281
Formula
C81H136O17P2
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]

String Representations

InChiKey (Click to copy)
CYBSWHFUIPQQBW-VYRWPNSTSA-N
InChi (Click to copy)
InChI=1S/C81H136O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-44-48-52-56-60-64-68-81(86)98-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h10,14,21-23,25-28,32-36,38-40,44,47,51-52,56,75-77,82H,5-9,11-13,15-20,24,29-31,37,41-43,45-46,48-50,53-55,57-74H2,1-4H3,(H,87,88)(H,89,90)/b14-10-,25-21-,26-22-,27-23-,32-28-,36-33-,38-34-,39-35-,44-40-,51-47-,56-52-/t75-,76-,77-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)=O)=O

References

Other Databases