In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019Q6A |
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Common Name | CL(1'-[16:1(9Z)/16:1(9Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:0]) |
Systematic Name | 1'-[1-2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z- eicosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:7); CL(14:0_16:1_16:1_20:5) |
Exact Mass | |
Formula | C75H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | BTDGXHMPHKKRCY-MFYMIHJPSA-N |
InChI | InChI=1S/C75H132O17P2/c1-5-9-13-17-21-25-29-32-33-34-35-38-41-44-48-52-56-60-73( 78)86-65-70(91-74(79)61-57-53-49-45-39-28-24-20-16-12-8-4)67-89-93(81,82)87-63-6 9(76)64-88-94(83,84)90-68-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3 )66-85-72(77)59-55-51-47-43-40-36-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-33,35, 38,44,48,69-71,76H,5-8,10-12,14-20,22-24,28-29,34,36-37,39-43,45-47,49-68H2,1-4H 3,(H,81,82)(H,83,84)/b13-9-,25-21-,30-26-,31-27-,33-32-,38-35-,48-44-/t69-,70+,7 1+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([ H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)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) |