In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030190XX |
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Common Name | TG(14:1(9Z)/11:0/18:1(4E)) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-undecanoyl-3-(4E-octadecenoyl)-sn-glycerol |
Synonyms | TG(43:2); TG(11:0_14:1_18:1) |
Exact Mass | |
Formula | C46H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | AQJXNUCHKYGWGW-FWFLOQKXSA-N |
InChI | InChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-33-36-39-45(48)51-42-4 3(52-46(49)40-37-34-29-18-15-12-9-6-3)41-50-44(47)38-35-32-30-27-25-20-17-14-11- 8-5-2/h14,17,31,33,43H,4-13,15-16,18-30,32,34-42H2,1-3H3/b17-14-,33-31+/t43-/m1/ s1 |
SMILES | C(OC(=O)CC/C=C/CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |