In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019KW8 |
---|---|
Common Name | CL(1'-[16:0/14:0],3'-[16:1(9Z)/20:4(5Z,8Z,11Z,14Z)]) |
Systematic Name | 1'-[1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z- hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:5); CL(14:0_16:0_16:1_20:4) |
Exact Mass | |
Formula | C75H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | QAKCESOXDDVSPU-VWXMTOMPSA-N |
InChI | InChI=1S/C75H136O17P2/c1-5-9-13-17-21-25-29-32-33-34-35-38-42-46-50-54-58-62-75( 80)92-71(66-86-73(78)60-56-52-48-44-41-37-31-27-23-19-15-11-7-3)68-90-94(83,84)8 8-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-39-28-24-20-16-12-8-4 )65-85-72(77)59-55-51-47-43-40-36-30-26-22-18-14-10-6-2/h21,25,27,31-33,35,38,46 ,50,69-71,76H,5-20,22-24,26,28-30,34,36-37,39-45,47-49,51-68H2,1-4H3,(H,81,82)(H ,83,84)/b25-21-,31-27-,33-32-,38-35-,50-46-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(O C[C@]([H])(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O )=O |
MS Spectra | - |
Status | Active (generated by computational methods) |