In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019J1Y |
---|---|
Common Name | CL(1'-[14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[14:1(9Z)/18:2(9Z,12Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero- 3-phospho],3'-[1-(9Z-tetradecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:1_14:1_18:2_22:6) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | SKNSQTCCXZJSMU-JUXRAYMKSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-31-33-34-35-36-38-40-44-48-52-56-60- 64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-28-24-20-16-12-8-4)70-92-96(85,86)9 0-66-71(78)65-89-95(83,84)91-69-72(67-87-74(79)61-57-53-49-45-41-27-23-19-15-11- 7-3)93-76(81)63-59-55-51-47-43-39-37-32-30-26-22-18-14-10-6-2/h9,13,19-26,31-33, 35-37,40,44,52,56,71-73,78H,5-8,10-12,14-18,27-30,34,38-39,41-43,45-51,53-55,57- 70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,23-19-,24-20-,25-21-,26-22-,33-31-,36-35-,3 7-32-,44-40-,56-52-/t71-,72+,73+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC )=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC CC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |