In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AXDK |
---|---|
Common Name | CL(1'-[20:4(5Z,8Z,11Z,14Z)/14:0],3'-[18:3(6Z,9Z,12Z)/14:0]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tetradecanoyl-sn-glycero-3-phospho], 3'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:7); CL(14:0_14:0_18:3_20:4) |
Exact Mass | |
Formula | C75H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | BAJIPGQOAVXTSZ-HLUOKGOESA-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/h21-22,25-26,31-33,35-36 ,38,41,43-44,48,69-71,76H,5-20,23-24,27-30,34,37,39-40,42,45-47,49-68H2,1-4H3,(H ,81,82)(H,83,84)/b25-21-,26-22-,33-31-,35-32-,38-36-,43-41-,48-44-/t69-,70+,71+/ m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[ C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC )(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |