In-Silico Structure database (LMISSD)
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LM ID | LMGL030290VK |
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Common Name | TG(O-18:1(11Z)/10:0/18:1(13Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-decanoyl-3-(13Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(O-46:2); TG(O-18:1_10:0_18:1) |
Exact Mass | |
Formula | C49H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | RWCICHQKMZZSBH-DTNCBEBDSA-N |
InChI | InChI=1S/C49H92O5/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-44-52-45-47(5 4-49(51)43-40-37-33-15-12-9-6-3)46-53-48(50)42-39-36-34-31-29-27-25-23-21-19-17- 14-11-8-5-2/h14,17-18,20,47H,4-13,15-16,19,21-46H2,1-3H3/b17-14-,20-18-/t47-/m1/ s1 |
SMILES | C(OC(=O)CCCCCCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |