In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201A2V7 |
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Common Name | CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)],3'-[16:1(9Z)/18:3(6Z,9Z,12Z)]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phospho],3'-[1-(9Z-hexadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:1_16:1_18:3_20:5) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | XLUNSKFFXMBVSA-DGBMIRTGSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-32-34-35-37-39-43-46-50-54-58-62-75( 80)88-67-72(93-76(81)63-59-55-51-47-41-28-24-20-16-12-8-4)69-91-95(83,84)89-65-7 1(78)66-90-96(85,86)92-70-73(68-87-74(79)61-57-53-49-45-42-38-31-27-23-19-15-11- 7-3)94-77(82)64-60-56-52-48-44-40-36-33-30-26-22-18-14-10-6-2/h9,13,20-22,24-27, 31-34,36-37,39,44,46,48,50,71-73,78H,5-8,10-12,14-19,23,28-30,35,38,40-43,45,47, 49,51-70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,24-20-,25-21-,26-22-,31-27-,34-32-,36 -33-,39-37-,48-44-,50-46-/t71-,72-,73-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=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)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC /C=C\CCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |