In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029LOR |
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Common Name | TG(O-16:1(11Z)/17:1(9Z)/13:0) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(9Z-heptadecenoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(O-46:2); TG(O-16:1_13:0_17:1) |
Exact Mass | |
Formula | C49H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | MOXKBRMSYWBZMX-MDVFHUKKSA-N |
InChI | InChI=1S/C49H92O5/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-49(51)54-47(46-5 3-48(50)42-39-36-33-30-21-18-15-12-9-6-3)45-52-44-41-38-35-32-29-27-25-23-20-17- 14-11-8-5-2/h14,17,22,24,47H,4-13,15-16,18-21,23,25-46H2,1-3H3/b17-14-,24-22-/t4 7-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |