In-Silico Structure database (LMISSD)
| |
LM ID | LMGP120190U6 |
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Common Name | CL(1'-[18:1(9Z)/14:0],3'-[18:3(9Z,12Z,15Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z,12Z, 15Z-octadecatrienoyl)-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 | WLQNCVPZJGHBOO-XCAAUHKKSA-N |
InChI | InChI=1S/C73H132O17P2/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/h9,13,19,21,23,25,31-34,67-69, 74H,5-8,10-12,14-18,20,22,24,26-30,35-66H2,1-4H3,(H,79,80)(H,81,82)/b13-9-,23-19 -,25-21-,33-31-,34-32-/t67-,68+,69+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)=O)= O |
MS Spectra | - |
Status | Active (generated by computational methods) |