In-Silico Structure database (LMISSD)
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LM ID | LMGL03019DFB |
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Common Name | TG(10:0/20:4(7E,10E,13E,16E)/12:0) |
Systematic Name | 1-decanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(42:4); TG(10:0_12:0_20:4) |
Exact Mass | |
Formula | C45H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CFAAPLFKPJQTRY-YADUOOHISA-N |
InChI | InChI=1S/C45H78O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-27-30-33-36-39-45(48)5 1-42(40-49-43(46)37-34-31-28-15-12-9-6-3)41-50-44(47)38-35-32-29-26-17-14-11-8-5 -2/h10,13,18-19,21-22,24-25,42H,4-9,11-12,14-17,20,23,26-41H2,1-3H3/b13-10+,19-1 8+,22-21+,25-24+/t42-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCC C)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |