In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AHEI |
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Common Name | CL(1'-[18:3(9Z,12Z,15Z)/14:0],3'-[14:0/18:3(9Z,12Z,15Z)]) |
Systematic Name | 1'-[1-(9Z,12Z,15Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'- [1-tetradecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(64:6); CL(14:0_14:0_18:3_18:3) |
Exact Mass | |
Formula | C73H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | ZDVGRIWZCYQLPJ-NNEJAPFNSA-N |
InChI | InChI=1S/C73H130O17P2/c1-5-9-13-17-21-25-29-31-33-35-39-42-46-50-54-58-71(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)85-61-67(74)6 2-86-92(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 )60-56-52-48-44-40-36-34-32-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,31-34, 67-69,74H,5-8,11-12,15-20,23-24,27-30,35-66H2,1-4H3,(H,79,80)(H,81,82)/b13-9-,14 -10-,25-21-,26-22-,33-31-,34-32-/t67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(O)(OC[C@](O )([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC)(O)= O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |