In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019VKH |
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Common Name | TG(14:0/10:0/18:2(9E,12E)) |
Systematic Name | 1-tetradecanoyl-2-decanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(42:2); TG(10:0_14:0_18:2) |
Exact Mass | |
Formula | C45H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | NIJFWGMFEBFVMR-URZVJZNISA-N |
InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-18-20-21-22-23-25-27-30-32-35-38-44(47)50-41-4 2(51-45(48)39-36-33-28-15-12-9-6-3)40-49-43(46)37-34-31-29-26-24-19-17-14-11-8-5 -2/h16,18,21-22,42H,4-15,17,19-20,23-41H2,1-3H3/b18-16+,22-21+/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |