In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019AIF |
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Common Name | TG(10:0/13:0/20:4(5E,8E,11E,14E)) |
Systematic Name | 1-decanoyl-2-tridecanoyl-3-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol |
Synonyms | TG(43:4); TG(10:0_13:0_20:4) |
Exact Mass | |
Formula | C46H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ACKHDVFCIUXZPG-IYLKZDDFSA-N |
InChI | InChI=1S/C46H80O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-28-30-33-36-39-45(48)5 1-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-31-27-19-17-14-11- 8-5-2/h16,18,21-22,24-25,28,30,43H,4-15,17,19-20,23,26-27,29,31-42H2,1-3H3/b18-1 6+,22-21+,25-24+,30-28+/t43-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCC CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |