In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029P8U |
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Common Name | TG(O-16:1(9Z)/10:0/18:1(13Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-decanoyl-3-(13Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(O-44:2); TG(O-16:1_10:0_18:1) |
Exact Mass | |
Formula | C47H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | NEAWYDKEZVAWBI-SOYLLLAYSA-N |
InChI | InChI=1S/C47H88O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-32-34-37-40-46(48)51-44-4 5(52-47(49)41-38-35-31-15-12-9-6-3)43-50-42-39-36-33-30-28-26-23-21-19-17-14-11- 8-5-2/h13,16,19,21,45H,4-12,14-15,17-18,20,22-44H2,1-3H3/b16-13-,21-19-/t45-/m1/ s1 |
SMILES | C(OC(=O)CCCCCCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |