In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)],3'-[14:0/24:1(15Z)])
Systematic Name
1'-[1-2-di-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1-tetradecanoyl-2-(15Z-tetracosenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BMMW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1583.081781
Formula
C91H156O17P2
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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)
IYOIIMPOZUKIDC-FVTMGNKRSA-N
InChi (Click to copy)
InChI=1S/C91H156O17P2/c1-5-9-13-17-21-25-29-32-35-38-41-42-45-48-51-54-58-62-66-70-74-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-73-69-65-61-57-53-50-47-44-40-37-34-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-39-36-33-30-26-22-18-14-10-6-2/h22-23,26-27,32-37,43-44,46-47,52-53,56-57,64-65,68-69,85-87,92H,5-21,24-25,28-31,38-42,45,48-51,54-55,58-63,66-67,70-84H2,1-4H3,(H,97,98)(H,99,100)/b26-22-,27-23-,35-32-,36-33-,37-34-,46-43-,47-44-,56-52-,57-53-,68-64-,69-65-/t85-,86+,87+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=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)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O)=O

References

Other Databases