In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019LR4 |
---|---|
Common Name | CL(1'-[16:0/16:1(9Z)],3'-[18:1(9Z)/16:0]) |
Systematic Name | 1'-[1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z- octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:2); CL(16:0_16:0_16:1_18:1) |
Exact Mass | |
Formula | C75H142O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | USUANQIWHZVEBY-HTMRIAEVSA-N |
InChI | InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86- 66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-6 9(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3 )65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h27,31,33-34,69-71,76H,5 -26,28-30,32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b31-27-,34-33-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |