In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AB5Y |
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Common Name | CL(1'-[18:3(6Z,9Z,12Z)/14:0],3'-[18:0/16:1(9Z)]) |
Systematic Name | 1'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1- octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:4); CL(14:0_16:1_18:0_18:3) |
Exact Mass | |
Formula | C75H138O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | HZPORMPGRLBUAL-WGUKFYMXSA-N |
InChI | InChI=1S/C75H138O17P2/c1-5-9-13-17-21-25-29-32-34-37-40-43-47-51-55-59-72(77)85- 65-70(91-74(79)61-57-53-49-45-39-28-24-20-16-12-8-4)67-89-93(81,82)87-63-69(76)6 4-88-94(83,84)90-68-71(92-75(80)62-58-54-50-46-42-36-31-27-23-19-15-11-7-3)66-86 -73(78)60-56-52-48-44-41-38-35-33-30-26-22-18-14-10-6-2/h21,25,27,31-32,34,40,43 ,69-71,76H,5-20,22-24,26,28-30,33,35-39,41-42,44-68H2,1-4H3,(H,81,82)(H,83,84)/b 25-21-,31-27-,34-32-,43-40-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O )([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |