In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301AB2L |
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Common Name | TG(15:1(9Z)/16:1(7Z)/11:0) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-(7Z-hexadecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(42:2); TG(11:0_15:1_16:1) |
Exact Mass | |
Formula | C45H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | BECOXGKCNKDEIZ-WNKDYBPKSA-N |
InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-19-21-23-25-27-30-33-36-39-45(48)51-42(40-49-4 3(46)37-34-31-28-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-24-22-20-17-14-11-8-5 -2/h17,20,23,25,42H,4-16,18-19,21-22,24,26-41H2,1-3H3/b20-17-,25-23-/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |