In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029QBF |
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Common Name | TG(O-16:1(9Z)/11:0/18:2(9E,12E)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-undecanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(O-45:3); TG(O-16:1_11:0_18:2) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | XQXUVXGWGDUNQI-NYSZIOMNSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-35-38-41-47(49)52-45-4 6(53-48(50)42-39-36-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-27-24-22-20-17-14- 11-8-5-2/h16,19-20,22-23,25,46H,4-15,17-18,21,24,26-45H2,1-3H3/b19-16+,22-20-,25 -23+/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |