In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AD10 |
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Common Name | CL(1'-[18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)],3'-[14:0/16:0]) |
Systematic Name | 1'-[1-2-di-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1- tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:6); CL(14:0_16:0_18:3_18:3) |
Exact Mass | |
Formula | C75H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | RKKMWXYPEMNHIH-IAUWEAGFSA-N |
InChI | InChI=1S/C75H134O17P2/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/h21-22,25-26,32-35,40,42 ,44,46,69-71,76H,5-20,23-24,27-31,36-39,41,43,45,47-68H2,1-4H3,(H,81,82)(H,83,84 )/b25-21-,26-22-,34-32-,35-33-,44-40-,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(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O )(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O )=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |