In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019TH9 |
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Common Name | CL(1'-[16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[14:0/16:0]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phospho],3'-[1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:6); CL(14:0_16:0_16:1_20:5) |
Exact Mass | |
Formula | C75H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DUMAHYFIWQPPBV-UAYGGZMSSA-N |
InChI | InChI=1S/C75H134O17P2/c1-5-9-13-17-21-25-29-32-33-34-35-38-42-46-50-54-58-62-75( 80)92-71(66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2)68-90-94(83,84)8 8-64-69(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)91-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h9,13,21,25-26,30,32-33, 35,38,46,50,69-71,76H,5-8,10-12,14-20,22-24,27-29,31,34,36-37,39-45,47-49,51-68H 2,1-4H3,(H,81,82)(H,83,84)/b13-9-,25-21-,30-26-,33-32-,38-35-,50-46-/t69-,70+,71 +/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCCCC)=O )(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O )=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |