In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019G43 |
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Common Name | TG(11:0/18:2(2E,4E)/14:0) |
Systematic Name | 1-undecanoyl-2-(2E,4E-octadecadienoyl)-3-tetradecanoyl-sn-glycerol |
Synonyms | TG(43:2); TG(11:0_14:0_18:2) |
Exact Mass | |
Formula | C46H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | IJSHXFCBJVYTBR-YSFDGELKSA-N |
InChI | InChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43(4 1-50-44(47)38-35-32-29-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-25-20-17-14-11- 8-5-2/h31,34,37,40,43H,4-30,32-33,35-36,38-39,41-42H2,1-3H3/b34-31+,40-37+/t43-/ m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |