In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029HPT |
---|---|
Common Name | TG(O-16:0/18:4(9E,11E,13E,15E)/13:0) |
Systematic Name | 1-hexadecyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(O-47:4); TG(O-16:0_13:0_18:4) |
Exact Mass | |
Formula | C50H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | RJHONQMXMYCLRF-PYSJCJBVSA-N |
InChI | InChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-35-38-41-44-50(52)55-48(4 7-54-49(51)43-40-37-34-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-28-25-23-20- 17-14-11-8-5-2/h7,10,13,16,19,22,24,26,48H,4-6,8-9,11-12,14-15,17-18,20-21,23,25 ,27-47H2,1-3H3/b10-7+,16-13+,22-19+,26-24+/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCCCCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |