In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019FQ6 |
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Common Name | CL(1'-[14:1(9Z)/14:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z, 11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(62:7); CL(14:0_14:1_14:1_20:5) |
Exact Mass | |
Formula | C71H124O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | KWZSOSQFPMTLSM-RXZMONLPSA-N |
InChI | InChI=1S/C71H124O17P2/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/h9,13,18,20-22,24-25,30-31,33-34,40, 44,65-67,72H,5-8,10-12,14-17,19,23,26-29,32,35-39,41-43,45-64H2,1-4H3,(H,77,78)( H,79,80)/b13-9-,22-18-,24-20-,25-21-,31-30-,34-33-,44-40-/t65-,66-,67-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])COP( 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) |