In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019TMG |
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Common Name | CL(1'-[16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[18:3(9Z,12Z,15Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phospho],3'-[1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:1_16:1_18:3_20:5) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DKHUFFVLLLAZST-LOJGALLJSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-32-34-35-37-40-44-48-52-56-60-64-77( 82)94-73(68-87-74(79)61-57-53-49-45-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)9 0-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-41-28-24-20-16-12-8-4 )67-88-75(80)62-58-54-50-46-43-39-36-33-30-26-22-18-14-10-6-2/h9-10,13-14,20-22, 24-27,31-34,36-37,40,48,52,71-73,78H,5-8,11-12,15-19,23,28-30,35,38-39,41-47,49- 51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,14-10-,24-20-,25-21-,26-22-,31-27-,34 -32-,36-33-,40-37-,52-48-/t71-,72+,73+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCCCC)=O )(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C =C\C/C=C\CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |