In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/24:0],3'-[24:0/18:1(9Z)])
Systematic Name
1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetracosanoyl-sn-glycero-3-phospho],3'-[1-tetracosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201A7JZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1649.222631
Formula
C95H174O17P2
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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)
NBCHFIAIHBQMQN-DOYZDWOBSA-N
InChi (Click to copy)
InChI=1S/C95H174O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-44-46-49-53-56-60-64-68-72-76-80-93(98)106-85-90(111-94(99)81-77-73-69-65-61-57-51-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(86-105-92(97)79-75-71-67-63-59-55-52-48-39-35-31-27-23-19-15-11-7-3)112-95(100)82-78-74-70-66-62-58-54-50-47-45-43-41-38-34-30-26-22-18-14-10-6-2/h11,15,23,27,35-36,39,51-52,55,63,67,89-91,96H,5-10,12-14,16-22,24-26,28-34,37-38,40-50,53-54,56-62,64-66,68-88H2,1-4H3,(H,101,102)(H,103,104)/b15-11-,27-23-,39-35-,51-36-,55-52-,67-63-/t89-,90+,91+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(O)=O)=O

References

Other Databases