In-Silico Structure database (LMISSD)
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LM ID | LMGP12019AA9 |
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Common Name | CL(1'-[14:0/14:0],3'-[14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-(4Z, 7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:7); CL(14:0_14:0_14:1_22:6) |
Exact Mass | |
Formula | C73H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | XPQMBSGTOOWLBI-QKNWNJFBSA-N |
InChI | InChI=1S/C73H128O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-35-36-40-44-48-52-56- 60-73(78)90-69(64-84-71(76)58-54-50-46-42-38-27-23-19-15-11-7-3)66-88-92(81,82)8 6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-39-28-24-20-16-12-8-4 )63-83-70(75)57-53-49-45-41-37-26-22-18-14-10-6-2/h9,13,19,21,23,25,30-31,33-34, 36,40,48,52,67-69,74H,5-8,10-12,14-18,20,22,24,26-29,32,35,37-39,41-47,49-51,53- 66H2,1-4H3,(H,79,80)(H,81,82)/b13-9-,23-19-,25-21-,31-30-,34-33-,40-36-,52-48-/t 67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC)( O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |