In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201BIQM |
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Common Name | CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)],3'-[14:1(9Z)/16:1(9Z)]) |
Systematic Name | 1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phospho],3'-[1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:8); CL(14:1_14:1_16:1_22:5) |
Exact Mass | |
Formula | C75H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | MXASDTCIGQZFNW-XMUBJRIUSA-N |
InChI | InChI=1S/C75H130O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-35-36-38-41-44-48-52-56- 60-73(78)86-66-70(91-74(79)61-57-53-49-45-40-28-24-20-16-12-8-4)67-89-93(81,82)8 7-63-69(76)64-88-94(83,84)90-68-71(65-85-72(77)59-55-51-47-43-39-27-23-19-15-11- 7-3)92-75(80)62-58-54-50-46-42-37-30-26-22-18-14-10-6-2/h19-21,23-26,30-32,34-35 ,38,41,48,52,69-71,76H,5-18,22,27-29,33,36-37,39-40,42-47,49-51,53-68H2,1-4H3,(H ,81,82)(H,83,84)/b23-19-,24-20-,25-21-,30-26-,32-31-,35-34-,41-38-,52-48-/t69-,7 0-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O )(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C CCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |