In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019HVR |
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Common Name | CL(1'-[14:1(9Z)/18:3(9Z,12Z,15Z)],3'-[18:1(9Z)/16:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho], 3'-[1-(9Z-octadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:6); CL(14:1_16:1_18:1_18:3) |
Exact Mass | |
Formula | C75H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | JJYVOVGNBWZKCF-BMGMMCCASA-N |
InChI | InChI=1S/C75H134O17P2/c1-5-9-13-17-21-25-29-32-34-37-40-44-48-52-56-60-73(78)86- 66-71(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-6 9(76)63-87-93(81,82)89-67-70(65-85-72(77)59-55-51-47-43-39-28-24-20-16-12-8-4)92 -75(80)62-58-54-50-46-42-38-35-33-30-26-22-18-14-10-6-2/h10,14,20,22,24,26-27,31 -35,69-71,76H,5-9,11-13,15-19,21,23,25,28-30,36-68H2,1-4H3,(H,81,82)(H,83,84)/b1 4-10-,24-20-,26-22-,31-27-,34-32-,35-33-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@ ](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O )=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |