In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301CD3T |
---|---|
Common Name | TG(18:1(7Z)/13:0/11:0) |
Systematic Name | 1-(7Z-octadecenoyl)-2-tridecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(42:1); TG(11:0_13:0_18:1) |
Exact Mass | |
Formula | C45H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | UYMLKHWSWVFPDH-PAMHWBCLSA-N |
InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-21-22-23-24-25-27-29-32-35-38-44(47)50-41-4 2(40-49-43(46)37-34-31-28-18-15-12-9-6-3)51-45(48)39-36-33-30-26-20-17-14-11-8-5 -2/h24-25,42H,4-23,26-41H2,1-3H3/b25-24-/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCC/C=C\CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |