In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019FX2 |
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Common Name | TG(11:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-undecanoyl-2-(9Z-tetradecenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-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 | MWMYRJSSTSRCCM-WVUBHSLYSA-N |
InChI | InChI=1S/C46H78O6/c1-4-7-10-13-16-19-21-22-23-24-26-27-30-33-36-39-45(48)51-42-4 3(41-50-44(47)38-35-32-29-18-15-12-9-6-3)52-46(49)40-37-34-31-28-25-20-17-14-11- 8-5-2/h7,10,14,16-17,19,22-23,26-27,43H,4-6,8-9,11-13,15,18,20-21,24-25,28-42H2, 1-3H3/b10-7-,17-14-,19-16-,23-22-,27-26-/t43-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCC CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |