In-Silico Structure database (LMISSD)
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LM ID | LMGP1201BN4R |
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Common Name | CL(1'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)],3'-[18:3(9Z,12Z,15Z)/14:0]) |
Systematic Name | 1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero- 3-phospho],3'-[1-(9Z,12Z,15Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:0_14:1_18:3_22:6) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | QKZSJRQVSDBKPA-SHXCBIDESA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-31-33-34-35-36-38-40-44-46-50-54-58- 62-75(80)88-68-73(94-77(82)64-60-56-52-48-42-28-24-20-16-12-8-4)70-92-96(85,86)9 0-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-41-27-23-19-15-11-7-3 )67-87-74(79)61-57-53-49-45-43-39-37-32-30-26-22-18-14-10-6-2/h9-10,13-14,20-22, 24-26,31-33,35-37,40,44,50,54,71-73,78H,5-8,11-12,15-19,23,27-30,34,38-39,41-43, 45-49,51-53,55-70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,14-10-,24-20-,25-21-,26-22-, 33-31-,36-35-,37-32-,44-40-,54-50-/t71-,72+,73+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CC/C=C\C/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)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C =C\C/C=C\CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |