In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301EA48 |
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Common Name | TG(19:0/12:0/12:0) |
Systematic Name | 1-nonadecanoyl-2-dodecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(43:0); TG(12:0_12:0_19:0) |
Exact Mass | |
Formula | C46H88O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | LKUSHYRRIVCBLN-QLKFWGTOSA-N |
InChI | InChI=1S/C46H88O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-28-30-33-36-39-45(48)51-4 2-43(52-46(49)40-37-34-31-27-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-17-14-11- 8-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |