In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019ABD |
---|---|
Common Name | CL(1'-[14:0/14:0],3'-[16:0/14:1(9Z)]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z- tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(58:1); CL(14:0_14:0_14:1_16:0) |
Exact Mass | |
Formula | C67H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | JSMTWAZQVZKXAB-PEDDQVFUSA-N |
InChI | InChI=1S/C67H128O17P2/c1-5-9-13-17-21-25-29-30-34-36-40-44-48-52-65(70)78-58-63( 84-67(72)54-50-46-42-38-33-28-24-20-16-12-8-4)60-82-86(75,76)80-56-61(68)55-79-8 5(73,74)81-59-62(83-66(71)53-49-45-41-37-32-27-23-19-15-11-7-3)57-77-64(69)51-47 -43-39-35-31-26-22-18-14-10-6-2/h20,24,61-63,68H,5-19,21-23,25-60H2,1-4H3,(H,73, 74)(H,75,76)/b24-20-/t61-,62-,63-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |