In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019XEO |
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Common Name | CL(1'-[18:0/18:3(6Z,9Z,12Z)],3'-[14:0/16:1(9Z)]) |
Systematic Name | 1'-[1-octadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1- tetradecanoyl-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 | DISQWGVBZWWGLB-FDZVENTJSA-N |
InChI | InChI=1S/C75H138O17P2/c1-5-9-13-17-21-25-29-32-34-37-40-44-48-52-56-60-73(78)86- 66-71(92-75(80)62-58-54-50-46-42-38-35-33-30-26-22-18-14-10-6-2)68-90-94(83,84)8 8-64-69(76)63-87-93(81,82)89-67-70(65-85-72(77)59-55-51-47-43-39-28-24-20-16-12- 8-4)91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3/h22,26-27,31,33,35,42,46 ,69-71,76H,5-21,23-25,28-30,32,34,36-41,43-45,47-68H2,1-4H3,(H,81,82)(H,83,84)/b 26-22-,31-27-,35-33-,46-42-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O)(OC[C @](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |