In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019LBQ |
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Common Name | CL(1'-[16:0/14:1(9Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-hexadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z, 14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(64:7); CL(14:1_14:1_16:0_20:5) |
Exact Mass | |
Formula | C73H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | APRSADAZPUCCLB-ZIDRNRLBSA-N |
InChI | InChI=1S/C73H128O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-36-40-42-46-50-54-58-71( 76)84-64-69(90-73(78)60-56-52-48-44-38-28-24-20-16-12-8-4)66-88-92(81,82)86-62-6 7(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-37-27-23-19-15-11-7-3)63-83 -70(75)57-53-49-45-41-39-35-30-26-22-18-14-10-6-2/h9,13,19-21,23-25,31-32,34,36, 42,46,67-69,74H,5-8,10-12,14-18,22,26-30,33,35,37-41,43-45,47-66H2,1-4H3,(H,79,8 0)(H,81,82)/b13-9-,23-19-,24-20-,25-21-,32-31-,36-34-,46-42-/t67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])CO P(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)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) |