In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201A2UF |
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Common Name | CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)],3'-[14:0/14:0]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phospho],3'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:6); CL(14:0_14:0_14:1_20:5) |
Exact Mass | |
Formula | C71H126O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | SDFKEWKRCVSAOO-SUUOEOSESA-N |
InChI | InChI=1S/C71H126O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-38-40-44-48-52-56-69( 74)82-62-67(88-71(76)58-54-50-46-42-37-28-24-20-16-12-8-4)64-86-90(79,80)84-60-6 5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-36-27-23-19-15-11-7-3)61-81 -68(73)55-51-47-43-39-35-26-22-18-14-10-6-2/h9,13,20-21,24-25,30-31,33-34,40,44, 65-67,72H,5-8,10-12,14-19,22-23,26-29,32,35-39,41-43,45-64H2,1-4H3,(H,77,78)(H,7 9,80)/b13-9-,24-20-,25-21-,31-30-,34-33-,44-40-/t65-,66+,67+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)( O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O) =O |
MS Spectra | - |
Status | Active (generated by computational methods) |