In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301DU4X |
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Common Name | TG(18:3(9Z,12Z,15Z)/11:0/14:1(9Z)) |
Systematic Name | 1-(9Z,12Z,15Z-octadecatrienoyl)-2-undecanoyl-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 | NBZQGKXHUSHZFZ-JRURNQLKSA-N |
InChI | InChI=1S/C46H80O6/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/h7,10,14,16-17,19,22-23,43H,4-6,8-9,11-13,15,18,20-21,24-42H2,1-3H3/b10-7- ,17-14-,19-16-,23-22-/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\ CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |