In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019LB8 |
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Common Name | CL(1'-[16:0/14:1(9Z)],3'-[22:0/14:0]) |
Systematic Name | 1'-[1-hexadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-docosenyl- 2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:1); CL(14:0_14:1_16:0_22:0) |
Exact Mass | |
Formula | C75H144O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | KLPFJZHTFGTLIG-QYTMOSSWSA-N |
InChI | InChI=1S/C75H144O17P2/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/h19,23,69-71,76H,5-18,20 -22,24-68H2,1-4H3,(H,81,82)(H,83,84)/b23-19-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])CO P(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |