In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019HZG |
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Common Name | CL(1'-[14:1(9Z)/18:3(9Z,12Z,15Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho], 3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:1_16:1_18:3_20:5) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | IOIBZSKOCKTWMM-WVQPGYTLSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-32-34-35-37-39-42-46-50-54-58-62-75( 80)88-68-73(93-76(81)63-59-55-51-47-43-38-31-27-23-19-15-11-7-3)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)94-77(82)64-60-56-52-48-44-40-36-33-30-26-22-18-14-10-6-2/h9-10,13-14,20-22, 24-27,31-34,36-37,39,46,50,71-73,78H,5-8,11-12,15-19,23,28-30,35,38,40-45,47-49, 51-70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,14-10-,24-20-,25-21-,26-22-,31-27-,34-32 -,36-33-,39-37-,50-46-/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)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C =C\C/C=C\CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |