In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019L2L |
---|---|
Common Name | TG(12:0/18:1(17Z)/13:0) |
Systematic Name | 1-dodecanoyl-2-(13Z-octadecenoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(43:1); TG(12:0_13:0_18:1) |
Exact Mass | |
Formula | C46H86O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | IHGQAGJBIYUJEY-VZUYHUTRSA-N |
InChI | InChI=1S/C46H86O6/c1-4-7-10-13-16-19-21-22-23-24-25-28-31-34-37-40-46(49)52-43(4 1-50-44(47)38-35-32-29-26-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-20-17-14-11- 8-5-2/h4,43H,1,5-42H2,2-3H3/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |