In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:4(5Z,8Z,11Z,14Z)/20:0],3'-[20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)])
Systematic Name
1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-(11Z-eicosenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201AZXQ
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)
ZOXUXZGEGKESOF-QUYNRDFISA-N
InChi (Click to copy)
InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h11,15,22-23,26-27,33-35,37-39,46-47,50-51,58-59,62-63,83-85,90H,5-10,12-14,16-21,24-25,28-32,36,40-45,48-49,52-57,60-61,64-82H2,1-4H3,(H,95,96)(H,97,98)/b15-11-,26-22-,27-23-,37-33-,38-34-,39-35-,50-46-,51-47-,62-58-,63-59-/t83-,84+,85+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=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)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)=O)=O

References

Other Databases