In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030192Y7 |
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Common Name | TG(14:1(9Z)/18:4(9E,11E,13E,15E)/11:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-undecanoyl-sn- glycerol |
Synonyms | TG(43:5); TG(11:0_14:1_18:4) |
Exact Mass | |
Formula | C46H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CGCWFVKQQXEFRP-KARMTXLWSA-N |
InChI | InChI=1S/C46H78O6/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/h7,10,13-14,16-17,19,21-23,43H,4-6,8-9,11-12,15,18,20,24-42H2,1-3H3/b10-7+ ,16-13+,17-14-,21-19+,23-22+/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCC/C=C\CC CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |