In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301AMF3 |
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Common Name | TG(16:1(7Z)/14:1(9Z)/11:0) |
Systematic Name | 1-(7Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(41:2); TG(11:0_14:1_16:1) |
Exact Mass | |
Formula | C44H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZQWYRGCBEAKTIJ-APCKHMGSSA-N |
InChI | InChI=1S/C44H80O6/c1-4-7-10-13-16-19-21-22-24-25-28-31-34-37-43(46)49-40-41(39-4 8-42(45)36-33-30-27-18-15-12-9-6-3)50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/ h14,17,22,24,41H,4-13,15-16,18-21,23,25-40H2,1-3H3/b17-14-,24-22-/t41-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCC/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |