In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AHZG |
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Common Name | CL(1'-[18:3(9Z,12Z,15Z)/16:0],3'-[16:0/16:0]) |
Systematic Name | 1'-[1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1- 2-di-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:3); CL(16:0_16:0_16:0_18:3) |
Exact Mass | |
Formula | C75H140O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | IPHKYQAPOUGEFB-PRPKYEDHSA-N |
InChI | InChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86- 66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-6 9(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3 )65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h9,13,21,25,33-34,69-71, 76H,5-8,10-12,14-20,22-24,26-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b13-9-,25-21-,3 4-33-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(O)(OC[C@] (O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |