In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019F0N |
---|---|
Common Name | CL(1'-[14:1(9Z)/14:1(9Z)],3'-[20:4(5Z,8Z,11Z,14Z)/14:0]) |
Systematic Name | 1'-[1-2-di-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z- eicosatetraenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:6); CL(14:0_14:1_14:1_20:4) |
Exact Mass | |
Formula | C71H126O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | GLNNDULCBHWIDX-SOYFWJPFSA-N |
InChI | InChI=1S/C71H126O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-38-40-44-48-52-56-69( 74)82-62-67(88-71(76)58-54-50-46-42-37-28-24-20-16-12-8-4)64-86-90(79,80)84-60-6 5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-36-27-23-19-15-11-7-3)61-81 -68(73)55-51-47-43-39-35-26-22-18-14-10-6-2/h18-19,21-23,25,30-31,33-34,40,44,65 -67,72H,5-17,20,24,26-29,32,35-39,41-43,45-64H2,1-4H3,(H,77,78)(H,79,80)/b22-18- ,23-19-,25-21-,31-30-,34-33-,44-40-/t65-,66-,67-/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O) =O |
MS Spectra | - |
Status | Active (generated by computational methods) |