In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019K0H |
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Common Name | TG(12:0/11:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-dodecanoyl-2-undecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol |
Synonyms | TG(43:3); TG(11:0_12:0_20:3) |
Exact Mass | |
Formula | C46H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | DSHFUGCSNRGCQE-BTHHIIIVSA-N |
InChI | InChI=1S/C46H82O6/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/h21-22,24-25,28,31,43H,4-20,23,26-27,29-30,32-42H2,1-3H3/b22-21-,25-24-,31 -28-/t43-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC) =O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |