In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019V07 |
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Common Name | CL(1'-[18:0/16:0],3'-[14:1(9Z)/18:3(9Z,12Z,15Z)]) |
Systematic Name | 1'-[1-octadecanoyl-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z- tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(66:4); CL(14:1_16:0_18:0_18:3) |
Exact Mass | |
Formula | C75H138O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | ODKVIRZINLZCIG-QIDMSJFISA-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(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-6 9(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)92 -75(80)62-58-54-50-46-42-38-35-33-30-26-22-18-14-10-6-2/h10,14,20,22,24,26,33,35 ,69-71,76H,5-9,11-13,15-19,21,23,25,27-32,34,36-68H2,1-4H3,(H,81,82)(H,83,84)/b1 4-10-,24-20-,26-22-,35-33-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])C OP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |