In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019QHO |
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Common Name | CL(1'-[16:1(9Z)/14:1(9Z)],3'-[16:1(9Z)/18:3(6Z,9Z,12Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z- hexadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:6); CL(14:1_16:1_16:1_18:3) |
Exact Mass | |
Formula | C73H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | YYKKIOHVERVUQZ-PABNMPKNSA-N |
InChI | InChI=1S/C73H130O17P2/c1-5-9-13-17-21-25-29-32-33-36-40-44-48-52-56-60-73(78)90- 69(64-84-71(76)58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)66-88-92(81,82)86-62-6 7(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-37-28-24-20-16-12-8-4)63-83 -70(75)57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h20-21,24-27,30-33,40,44,67-69 ,74H,5-19,22-23,28-29,34-39,41-43,45-66H2,1-4H3,(H,79,80)(H,81,82)/b24-20-,25-21 -,30-26-,31-27-,33-32-,44-40-/t67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H] )COP(OC[C@]([H])(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)= O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |