In-Silico Structure database (LMISSD)
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LM ID | LMGP12019HWX |
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Common Name | CL(1'-[14:1(9Z)/18:3(9Z,12Z,15Z)],3'-[18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho], 3'-[1-2-di-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:1_18:3_18:3_18:3) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | LBBYPWSSEUIBAL-RFYDEOQCSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-32-35-38-42-46-50-54-58-62-75(80)88- 68-73(94-77(82)64-60-56-52-48-44-40-37-34-31-27-23-19-15-11-7-3)70-92-96(85,86)9 0-66-71(78)65-89-95(83,84)91-69-72(67-87-74(79)61-57-53-49-45-41-28-24-20-16-12- 8-4)93-76(81)63-59-55-51-47-43-39-36-33-30-26-22-18-14-10-6-2/h10,14,20-27,32-37 ,42,44,46,48,71-73,78H,5-9,11-13,15-19,28-31,38-41,43,45,47,49-70H2,1-4H3,(H,83, 84)(H,85,86)/b14-10-,24-20-,25-21-,26-22-,27-23-,35-32-,36-33-,37-34-,46-42-,48- 44-/t71-,72-,73-/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)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\ C/C=C\CCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |