In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019GPS |
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Common Name | CL(1'-[14:1(9Z)/18:0],3'-[14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z- tetradecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:7); CL(14:1_14:1_18:0_20:5) |
Exact Mass | |
Formula | C75H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | SSFJDEDYKYZQPR-RPZRVEDTSA-N |
InChI | InChI=1S/C75H132O17P2/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)60-56-52-48-44-40-28-24-20-16-12-8-4)68-90-94(83,84)88-64-6 9(76)63-87-93(81,82)89-67-70(65-85-72(77)59-55-51-47-43-39-27-23-19-15-11-7-3)91 -74(79)61-57-53-49-45-41-37-35-32-30-26-22-18-14-10-6-2/h9,13,19-21,23-25,31,33, 36,38,46,50,69-71,76H,5-8,10-12,14-18,22,26-30,32,34-35,37,39-45,47-49,51-68H2,1 -4H3,(H,81,82)(H,83,84)/b13-9-,23-19-,24-20-,25-21-,33-31-,38-36-,50-46-/t69-,70 -,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCC/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) |