In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019AAJ |
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Common Name | CL(1'-[14:0/14:0],3'-[14:0/20:0]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-tetradecanoyl-2- eicosanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:0); CL(14:0_14:0_14:0_20:0) |
Exact Mass | |
Formula | C71H138O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | UTNPLCLJQCWIDL-WWKUUFCESA-N |
InChI | InChI=1S/C71H138O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-38-42-46-50-54-58-71( 76)88-67(62-82-69(74)56-52-48-44-40-36-27-23-19-15-11-7-3)64-86-90(79,80)84-60-6 5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-37-28-24-20-16-12-8-4)61-81 -68(73)55-51-47-43-39-35-26-22-18-14-10-6-2/h65-67,72H,5-64H2,1-4H3,(H,77,78)(H, 79,80)/t65-,66-,67-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |