In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301DP0D |
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Common Name | TG(18:3(6Z,9Z,12Z)/14:0/11:0) |
Systematic Name | 1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetradecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(43:3); TG(11:0_14:0_18:3) |
Exact Mass | |
Formula | C46H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | YJKSAHWGIKXMAZ-ZLKBKBGWSA-N |
InChI | InChI=1S/C46H82O6/c1-4-7-10-13-16-19-21-22-23-24-26-27-30-33-36-39-45(48)51-42-4 3(41-50-44(47)38-35-32-29-18-15-12-9-6-3)52-46(49)40-37-34-31-28-25-20-17-14-11- 8-5-2/h16,19,22-23,26-27,43H,4-15,17-18,20-21,24-25,28-42H2,1-3H3/b19-16-,23-22- ,27-26-/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC) =O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |