In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201BDGK |
---|---|
Common Name | CL(1'-[22:1(13Z)/14:1(9Z)],3'-[16:0/14:1(9Z)]) |
Systematic Name | 1'-[2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z- tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:3); CL(14:1_14:1_16:0_22:1) |
Exact Mass | |
Formula | C75H140O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | QVLCIUOBGDUJJI-GBRKLLAESA-N |
InChI | InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-35-36-38-42-44-48-52-56- 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)8 8-64-69(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)59-55-51-47-43-41-37-30-26-22-18-14-10-6-2/h19-20,23-24,31-32,69-71 ,76H,5-18,21-22,25-30,33-68H2,1-4H3,(H,81,82)(H,83,84)/b23-19-,24-20-,32-31-/t69 -,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)(O)(OC[C@]( O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |