In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03029AA4 |
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Common Name | TG(O-14:0/10:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-decanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol |
Synonyms | TG(O-42:3); TG(O-14:0_10:0_18:3) |
Exact Mass | |
Formula | C45H82O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | NLMWKNOOXOLXPP-OZKIRWMVSA-N |
InChI | InChI=1S/C45H82O5/c1-4-7-10-13-16-18-20-22-23-24-25-27-30-32-35-38-44(46)49-42-4 3(50-45(47)39-36-33-29-15-12-9-6-3)41-48-40-37-34-31-28-26-21-19-17-14-11-8-5-2/ h16,18,22-23,25,27,43H,4-15,17,19-21,24,26,28-42H2,1-3H3/b18-16-,23-22-,27-25-/t 43-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |