In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019TH8 |
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Common Name | CL(1'-[16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[14:0/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phospho],3'-[1-tetradecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(64:7); CL(14:0_14:1_16:1_20:5) |
Exact Mass | |
Formula | C73H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | WNRQIBXKRXMYEQ-RJQUQQAQSA-N |
InChI | InChI=1S/C73H128O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-36-40-44-48-52-56-60-73( 78)90-69(64-84-71(76)58-54-50-46-42-39-35-30-26-22-18-14-10-6-2)66-88-92(81,82)8 6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-38-28-24-20-16-12-8-4 )63-83-70(75)57-53-49-45-41-37-27-23-19-15-11-7-3/h9,13,20-21,24-26,30-32,34,36, 44,48,67-69,74H,5-8,10-12,14-19,22-23,27-29,33,35,37-43,45-47,49-66H2,1-4H3,(H,7 9,80)(H,81,82)/b13-9-,24-20-,25-21-,30-26-,32-31-,36-34-,48-44-/t67-,68+,69+/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)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC)( O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |