In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019CA5 |
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Common Name | CL(1'-[14:0/18:3(6Z,9Z,12Z)],3'-[18:1(9Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-tetradecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1- (9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:5); CL(14:0_14:1_18:1_18:3) |
Exact Mass | |
Formula | C73H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DAYYKGIVNATJKC-PGPKHZFYSA-N |
InChI | InChI=1S/C73H132O17P2/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/h20,22,24,26,31-34,40,44,67-69 ,74H,5-19,21,23,25,27-30,35-39,41-43,45-66H2,1-4H3,(H,79,80)(H,81,82)/b24-20-,26 -22-,33-31-,34-32-,44-40-/t67-,68+,69+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O )([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O)= O |
MS Spectra | - |
Status | Active (generated by computational methods) |