In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019XYO |
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Common Name | CL(1'-[18:0/20:0],3'-[14:0/14:1(9Z)]) |
Systematic Name | 1'-[1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-tetradecanoyl-2- (9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:1); CL(14:0_14:1_18:0_20:0) |
Exact Mass | |
Formula | C75H144O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | UMALHFIIODSOCY-SSIKKJRMSA-N |
InChI | InChI=1S/C75H144O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-38-42-46-50-54-58-62-75( 80)92-71(66-86-73(78)60-56-52-48-44-41-37-35-32-30-26-22-18-14-10-6-2)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/h20,24,69-71,76H,5-19,21 -23,25-68H2,1-4H3,(H,81,82)(H,83,84)/b24-20-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([ H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |