In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019V4K |
---|---|
Common Name | TG(14:0/16:1(7Z)/13:0) |
Systematic Name | 1-tetradecanoyl-2-(7Z-hexadecenoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(43:1); TG(13:0_14:0_16:1) |
Exact Mass | |
Formula | C46H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | MESNVZOPZNOLLC-NVKPJTRASA-N |
InChI | InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-23-25-28-31-34-37-40-46(49)52-43(41-50-4 4(47)38-35-32-29-26-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11- 8-5-2/h23,25,43H,4-22,24,26-42H2,1-3H3/b25-23-/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |