In-Silico Structure database (LMISSD)
| |
LM ID | LMFA0709A025 |
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Common Name | FAHFA 22:4(7Z,10Z,13Z,16Z)/12O(FA 18:0) |
Systematic Name | 12-O-7Z,10Z,13Z,16Z-docosatetraenoyl-12-hydroxyoctadecanoic acid |
Synonyms | - |
Exact Mass | |
Formula | C40H70O4 |
Category | Fatty Acyls [FA] |
Main Class | Fatty esters [FA07] |
Sub Class | Fatty acid estolides [FA0709] |
PubChem Compound ID (CID) | - |
InChIKey | VQZMELVQFCTKSA-AILJCPQKSA-N |
InChI | InChI=1S/C40H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-33-37-40( 43)44-38(34-30-8-6-4-2)35-31-27-24-22-23-25-28-32-36-39(41)42/h10-11,13-14,16-17 ,19-20,38H,3-9,12,15,18,21-37H2,1-2H3,(H,41,42)/b11-10-,14-13-,17-16-,20-19- |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |