In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029K12 |
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Common Name | TG(O-16:1(11Z)/12:0/18:1(11Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-dodecanoyl-3-(11Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(O-46:2); TG(O-16:1_12:0_18:1) |
Exact Mass | |
Formula | C49H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | VIXIGSBCTFAAIN-QRYYDDKXSA-N |
InChI | InChI=1S/C49H92O5/c1-4-7-10-13-16-19-21-23-25-26-28-31-33-36-39-42-48(50)53-46-4 7(54-49(51)43-40-37-34-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-27-24-22-20-17- 14-11-8-5-2/h14,17,19,21,47H,4-13,15-16,18,20,22-46H2,1-3H3/b17-14-,21-19-/t47-/ m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |