In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029VVA |
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Common Name | TG(O-18:0/14:1(9Z)/11:0) |
Systematic Name | 1-octadecyl-2-(9Z-tetradecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(O-43:1); TG(O-18:0_11:0_14:1) |
Exact Mass | |
Formula | C46H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | CUOJWMYBHQVWJK-HZMXKNRLSA-N |
InChI | InChI=1S/C46H88O5/c1-4-7-10-13-16-19-21-22-23-24-25-27-29-32-35-38-41-49-42-44(4 3-50-45(47)39-36-33-30-18-15-12-9-6-3)51-46(48)40-37-34-31-28-26-20-17-14-11-8-5 -2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |