In-Silico Structure database (LMISSD)
| |
LM ID | LMGP120196JQ |
---|---|
Common Name | CL(1'-[18:2(9Z,12Z)/14:0],3'-[16:1(9Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z,12Z-octadecadienoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z- hexadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:4); CL(14:0_14:1_16:1_18:2) |
Exact Mass | |
Formula | C71H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | QLKMYULKIPTTCL-CKSXWGFISA-N |
InChI | InChI=1S/C71H130O17P2/c1-5-9-13-17-21-25-29-31-32-34-38-40-44-48-52-56-69(74)82- 62-67(88-71(76)58-54-50-46-42-36-28-24-20-16-12-8-4)64-86-90(79,80)84-60-65(72)5 9-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-35-27-23-19-15-11-7-3)61-81-68(73 )55-51-47-43-39-37-33-30-26-22-18-14-10-6-2/h19,21,23,25-26,30-32,65-67,72H,5-18 ,20,22,24,27-29,33-64H2,1-4H3,(H,77,78)(H,79,80)/b23-19-,25-21-,30-26-,32-31-/t6 5-,66+,67+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([ H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |