In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019GLB |
---|---|
Common Name | CL(1'-[14:1(9Z)/16:1(9Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(5Z, 8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:8); CL(14:1_16:1_16:1_20:5) |
Exact Mass | |
Formula | C75H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | OOAZLLUIKYCFBO-LOQMNMBASA-N |
InChI | InChI=1S/C75H130O17P2/c1-5-9-13-17-21-25-29-32-33-34-35-38-40-44-48-52-56-60-73( 78)86-66-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)68-90-94(83,84)8 8-64-69(76)63-87-93(81,82)89-67-70(65-85-72(77)59-55-51-47-43-39-28-24-20-16-12- 8-4)91-74(79)61-57-53-49-45-41-36-30-26-22-18-14-10-6-2/h9,13,20-21,24-27,30-33, 35,38,44,48,69-71,76H,5-8,10-12,14-19,22-23,28-29,34,36-37,39-43,45-47,49-68H2,1 -4H3,(H,81,82)(H,83,84)/b13-9-,24-20-,25-21-,30-26-,31-27-,33-32-,38-35-,48-44-/ t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H] )COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C \CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |