In-Silico Structure database (LMISSD)
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LM ID | LMGP12019QOD |
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Common Name | CL(1'-[16:1(9Z)/14:1(9Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(4Z, 7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]- sn-glycerol |
Synonyms | CL(66:9); CL(14:1_14:1_16:1_22:6) |
Exact Mass | |
Formula | C75H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DCGRWOSUZRGMKR-OADLAWIMSA-N |
InChI | InChI=1S/C75H128O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-35-36-38-42-44-48-52-56- 60-73(78)86-66-71(92-75(80)62-58-54-50-46-40-28-24-20-16-12-8-4)68-90-94(83,84)8 8-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-39-27-23-19-15-11-7-3 )65-85-72(77)59-55-51-47-43-41-37-30-26-22-18-14-10-6-2/h9,13,19-21,23-26,30-32, 34-35,38,42,48,52,69-71,76H,5-8,10-12,14-18,22,27-29,33,36-37,39-41,43-47,49-51, 53-68H2,1-4H3,(H,81,82)(H,83,84)/b13-9-,23-19-,24-20-,25-21-,30-26-,32-31-,35-34 -,42-38-,52-48-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H] )COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/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) |