In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301A7IQ |
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Common Name | TG(17:2(9Z,12Z)/12:0/14:1(9Z)) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-dodecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(43:3); TG(12:0_14:1_17:2) |
Exact Mass | |
Formula | C46H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | OZUARKHTNHZPSW-SAKATBJSSA-N |
InChI | InChI=1S/C46H82O6/c1-4-7-10-13-16-19-21-22-23-25-28-30-33-36-39-45(48)51-42-43(5 2-46(49)40-37-34-31-26-18-15-12-9-6-3)41-50-44(47)38-35-32-29-27-24-20-17-14-11- 8-5-2/h13-14,16-17,21-22,43H,4-12,15,18-20,23-42H2,1-3H3/b16-13-,17-14-,22-21-/t 43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC) =O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |