In-Silico Structure database (LMISSD)
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LM ID | LMGP1201994F |
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Common Name | CL(1'-[18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn- glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(66:8); CL(14:0_14:1_18:2_20:5) |
Exact Mass | |
Formula | C75H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | ALCHUIOLKIGXSR-REBFEWNTSA-N |
InChI | InChI=1S/C75H130O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-38-42-46-50-54-58-62-75( 80)92-71(66-86-73(78)60-56-52-48-44-41-37-35-32-30-26-22-18-14-10-6-2)68-90-94(8 3,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-40-28-24-20-16- 12-8-4)65-85-72(77)59-55-51-47-43-39-27-23-19-15-11-7-3/h9,13,19,21-23,25-26,31- 33,35-36,38,46,50,69-71,76H,5-8,10-12,14-18,20,24,27-30,34,37,39-45,47-49,51-68H 2,1-4H3,(H,81,82)(H,83,84)/b13-9-,23-19-,25-21-,26-22-,33-31-,35-32-,38-36-,50-4 6-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\C/C=C\CCC CC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C CCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |