In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201A2K2 |
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Common Name | CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:0],3'-[14:1(9Z)/18:1(9Z)]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-sn-glycero-3- phospho],3'-[1-(9Z-tetradecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:7); CL(14:0_14:1_18:1_20:5) |
Exact Mass | |
Formula | C75H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | GNUUQAWCNMNECJ-FZGDXUTFSA-N |
InChI | InChI=1S/C75H132O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-37-41-44-48-52-56-60-73( 78)86-66-70(91-74(79)61-57-53-49-45-40-28-24-20-16-12-8-4)67-89-93(81,82)87-63-6 9(76)64-88-94(83,84)90-68-71(65-85-72(77)59-55-51-47-43-39-27-23-19-15-11-7-3)92 -75(80)62-58-54-50-46-42-38-35-32-30-26-22-18-14-10-6-2/h9,13,19,21,23,25,31-33, 35-37,44,48,69-71,76H,5-8,10-12,14-18,20,22,24,26-30,34,38-43,45-47,49-68H2,1-4H 3,(H,81,82)(H,83,84)/b13-9-,23-19-,25-21-,33-31-,35-32-,37-36-,48-44-/t69-,70-,7 1-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=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)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC )(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |