In-Silico Structure database (LMISSD)
| |
LM ID | LMGP120190XA |
---|---|
Common Name | CL(1'-[18:1(9Z)/14:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z, 14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-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 | GEGODPIYGXCJAR-CMIWQGCVSA-N |
InChI | InChI=1S/C75H132O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-38-42-44-48-52-56-60-73( 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)88-64-6 9(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)59-55-51-47-43-41-37-35-32-30-26-22-18-14-10-6-2/h9,13,20-21,24-25,31-33, 35-36,38,44,48,69-71,76H,5-8,10-12,14-19,22-23,26-30,34,37,39-43,45-47,49-68H2,1 -4H3,(H,81,82)(H,83,84)/b13-9-,24-20-,25-21-,33-31-,35-32-,38-36-,48-44-/t69-,70 -,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/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) |