In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301GITC |
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Common Name | TG(20:4(7E,10E,13E,16E)/11:0/12:0) |
Systematic Name | 1-(7E,10E,13E,16E-eicosatetraenoyl)-2-undecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(43:4); TG(11:0_12:0_20:4) |
Exact Mass | |
Formula | C46H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZEBALDOZQALTSB-MLUXFYKNSA-N |
InChI | InChI=1S/C46H80O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-28-31-33-36-39-45(48)5 1-42-43(52-46(49)40-37-34-29-18-15-12-9-6-3)41-50-44(47)38-35-32-30-27-17-14-11- 8-5-2/h10,13,19-20,22-23,25-26,43H,4-9,11-12,14-18,21,24,27-42H2,1-3H3/b13-10+,2 0-19+,23-22+,26-25+/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/C CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |