In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AD57 |
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Common Name | CL(1'-[18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)],3'-[18:3(9Z,12Z,15Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-2-di-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1-(9Z,12Z, 15Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:1_18:3_18:3_18:3) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | WSDSYIVZHJLCCW-IIUYPWSYSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-32-35-38-42-45-49-53-57-61-74(79)87- 67-72(93-76(81)63-59-55-51-47-41-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)6 6-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-44-40-37-34-31-27-23-19-15-11-7-3 )68-88-75(80)62-58-54-50-46-43-39-36-33-30-26-22-18-14-10-6-2/h9,13,20-27,32-37, 43-44,46,48,71-73,78H,5-8,10-12,14-19,28-31,38-42,45,47,49-70H2,1-4H3,(H,83,84)( H,85,86)/b13-9-,24-20-,25-21-,26-22-,27-23-,35-32-,36-33-,37-34-,46-43-,48-44-/t 71-,72+,73+/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)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C =C\C/C=C\CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |