In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019F2R |
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Common Name | CL(1'-[14:1(9Z)/14:1(9Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/14:0]) |
Systematic Name | 1'-[1-2-di-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z- docosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:7); CL(14:0_14:1_14:1_22:5) |
Exact Mass | |
Formula | C73H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | FFUSSKCMAAYQJQ-KFYYKIMFSA-N |
InChI | InChI=1S/C73H128O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-35-36-40-42-46-50-54- 58-71(76)84-64-69(90-73(78)60-56-52-48-44-39-28-24-20-16-12-8-4)66-88-92(81,82)8 6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-38-27-23-19-15-11-7-3 )63-83-70(75)57-53-49-45-41-37-26-22-18-14-10-6-2/h18-19,21-23,25,30-31,33-34,36 ,40,46,50,67-69,74H,5-17,20,24,26-29,32,35,37-39,41-45,47-49,51-66H2,1-4H3,(H,79 ,80)(H,81,82)/b22-18-,23-19-,25-21-,31-30-,34-33-,40-36-,50-46-/t67-,68-,69-/m1/ s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])C OP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)( O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |