In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019FP8 |
---|---|
Common Name | CL(1'-[14:1(9Z)/14:0],3'-[20:1(11Z)/18:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(11Z- eicosenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:3); CL(14:0_14:1_18:1_20:1) |
Exact Mass | |
Formula | C75H140O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | KMSIORRQISGFGA-VZNJPERPSA-N |
InChI | InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-37-41-44-48-52-56-60-73( 78)86-66-71(92-75(80)62-58-54-50-46-42-38-35-32-30-26-22-18-14-10-6-2)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/h19,23,31-33,35,69-71,76 H,5-18,20-22,24-30,34,36-68H2,1-4H3,(H,81,82)(H,83,84)/b23-19-,33-31-,35-32-/t69 -,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])COP( OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |