In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019HIY |
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Common Name | TG(11:0/18:3(6Z,9Z,12Z)/14:1(9Z)) |
Systematic Name | 1-undecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(43:4); TG(11:0_14:1_18:3) |
Exact Mass | |
Formula | C46H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | BCOGZSLNUJPAMQ-XIVCPCDQSA-N |
InChI | InChI=1S/C46H80O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43(4 1-50-44(47)38-35-32-29-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-25-20-17-14-11- 8-5-2/h14,16-17,19,22-23,26,28,43H,4-13,15,18,20-21,24-25,27,29-42H2,1-3H3/b17-1 4-,19-16-,23-22-,28-26-/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCC CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |