In-Silico Structure database (LMISSD)
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LM ID | LMGP1201BOK4 |
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Common Name | CL(1'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3- phospho],3'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:8); CL(14:0_14:1_16:1_22:6) |
Exact Mass | |
Formula | C75H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | HMQWHWBQVPVXOC-MLTUZESBSA-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)86-66-71(92-75(80)62-58-54-50-46-42-37-30-26-22-18-14-10-6-2)68-90-94(8 3,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-40-28-24-20-16- 12-8-4)65-85-72(77)59-55-51-47-43-39-27-23-19-15-11-7-3/h9,13,19,21,23,25-26,30- 32,34-35,38,41,48,52,69-71,76H,5-8,10-12,14-18,20,22,24,27-29,33,36-37,39-40,42- 47,49-51,53-68H2,1-4H3,(H,81,82)(H,83,84)/b13-9-,23-19-,25-21-,30-26-,32-31-,35- 34-,41-38-,52-48-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\ CC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C CCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |