In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201A2UH |
---|---|
Common Name | CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)],3'-[14:0/16:0]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phospho],3'-[1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:6); CL(14:0_14:1_16:0_20:5) |
Exact Mass | |
Formula | C73H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | UAMGVMUUFDVOJK-RDJVXCHCSA-N |
InChI | InChI=1S/C73H130O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-36-39-42-46-50-54-58-71( 76)84-64-68(89-72(77)59-55-51-47-43-38-28-24-20-16-12-8-4)65-87-91(79,80)85-61-6 7(74)62-86-92(81,82)88-66-69(63-83-70(75)57-53-49-45-41-37-27-23-19-15-11-7-3)90 -73(78)60-56-52-48-44-40-35-30-26-22-18-14-10-6-2/h9,13,20-21,24-25,31-32,34,36, 42,46,67-69,74H,5-8,10-12,14-19,22-23,26-30,33,35,37-41,43-45,47-66H2,1-4H3,(H,7 9,80)(H,81,82)/b13-9-,24-20-,25-21-,32-31-,36-34-,46-42-/t67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCC/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)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)= O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |