In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:0],3'-[16:0/20:5(5Z,8Z,11Z,14Z,17Z)])
Systematic Name
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-docosanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BL3Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1557.066131
Formula
C89H154O17P2
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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)
RXOLVZQWAUHVJQ-GQZHORASSA-N
InChi (Click to copy)
InChI=1S/C89H154O17P2/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/h11,15,21,23,25,27,33,35-36,38,41,44,47,50-51,54,59,62-63,66,83-85,90H,5-10,12-14,16-20,22,24,26,28-32,34,37,39-40,42-43,45-46,48-49,52-53,55-58,60-61,64-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b15-11-,25-21-,27-23-,36-33-,38-35-,44-41-,51-47-,54-50-,63-59-,66-62-/t83-,84+,85+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O

References

Other Databases