In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019K0J |
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Common Name | TG(12:0/11:0/20:4(5E,8E,11E,14E)) |
Systematic Name | 1-dodecanoyl-2-undecanoyl-3-(5E,8E,11E,14E-eicosatetraenoyl)-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 | QUHYMBNPWKGHOY-GTVNENNYSA-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/h16,19,21-22,24-25,28,31,43H,4-15,17-18,20,23,26-27,29-30,32-42H2,1-3H3/b1 9-16+,22-21+,25-24+,31-28+/t43-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |