In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0302BDSO |
---|---|
Common Name | TG(O-22:1(9Z)/14:1(9Z)/11:0) |
Systematic Name | 1-(9Z-docosenyl)-2-(9Z-tetradecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(O-47:2); TG(O-22:1_11:0_14:1) |
Exact Mass | |
Formula | C50H94O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | WGCOQXFRSCGRTP-IEPMLOFZSA-N |
InChI | InChI=1S/C50H94O5/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-31-33-36-39-42-4 5-53-46-48(47-54-49(51)43-40-37-34-18-15-12-9-6-3)55-50(52)44-41-38-35-32-30-20- 17-14-11-8-5-2/h14,17,26-27,48H,4-13,15-16,18-25,28-47H2,1-3H3/b17-14-,27-26-/t4 8-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |