In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019VUN |
---|---|
Common Name | CL(1'-[18:0/14:1(9Z)],3'-[18:3(9Z,12Z,15Z)/14:0]) |
Systematic Name | 1'-[1-octadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z,12Z, 15Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:4); CL(14:0_14:1_18:0_18:3) |
Exact Mass | |
Formula | C73H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | KGYABJBGTSZOMX-RKYBYEBTSA-N |
InChI | InChI=1S/C73H134O17P2/c1-5-9-13-17-21-25-29-31-33-35-39-41-45-49-53-57-70(75)83- 63-68(89-72(77)59-55-51-47-43-37-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)6 2-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-38-28-24-20-16-12-8-4)64-84-71(76 )58-54-50-46-42-40-36-34-32-30-26-22-18-14-10-6-2/h9,13,20-21,24-25,31,33,67-69, 74H,5-8,10-12,14-19,22-23,26-30,32,34-66H2,1-4H3,(H,79,80)(H,81,82)/b13-9-,24-20 -,25-21-,33-31-/t67-,68+,69+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |