In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019AUR |
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Common Name | CL(1'-[14:0/16:0],3'-[14:0/22:5(4Z,7Z,10Z,13Z,16Z)]) |
Systematic Name | 1'-[1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-tetradecanoyl-2- (4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:5); CL(14:0_14:0_16:0_22:5) |
Exact Mass | |
Formula | C75H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | FFJQSOLYZSQZLT-DBIMVRFUSA-N |
InChI | InChI=1S/C75H136O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-35-36-38-42-46-50-54-58- 62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-28-24-20-16-12-8-4)68-90-94(83,84)8 8-64-69(76)63-87-93(81,82)89-67-70(65-85-72(77)59-55-51-47-43-39-27-23-19-15-11- 7-3)91-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25,31-32,34-35,38,42 ,50,54,69-71,76H,5-20,22-24,26-30,33,36-37,39-41,43-49,51-53,55-68H2,1-4H3,(H,81 ,82)(H,83,84)/b25-21-,32-31-,35-34-,42-38-,54-50-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(O C[C@]([H])(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O )=O |
MS Spectra | - |
Status | Active (generated by computational methods) |