In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019B9V |
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Common Name | TG(10:0/18:3(9Z,12Z,15Z)/14:0) |
Systematic Name | 1-decanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-tetradecanoyl-sn-glycerol |
Synonyms | TG(42:3); TG(10:0_14:0_18:3) |
Exact Mass | |
Formula | C45H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | IWEBCUFWFVYABW-CIIFAJGQSA-N |
InChI | InChI=1S/C45H80O6/c1-4-7-10-13-16-18-20-21-22-23-25-27-30-33-36-39-45(48)51-42(4 0-49-43(46)37-34-31-28-15-12-9-6-3)41-50-44(47)38-35-32-29-26-24-19-17-14-11-8-5 -2/h7,10,16,18,21-22,42H,4-6,8-9,11-15,17,19-20,23-41H2,1-3H3/b10-7-,18-16-,22-2 1-/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)= O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |