In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019B7I |
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Common Name | TG(10:0/18:3(6Z,9Z,12Z)/12:0) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(40:3); TG(10:0_12:0_18:3) |
Exact Mass | |
Formula | C43H76O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | JSVCTDJZUYLZFQ-RZSWSVEDSA-N |
InChI | InChI=1S/C43H76O6/c1-4-7-10-13-16-18-19-20-21-22-23-25-28-31-34-37-43(46)49-40(3 8-47-41(44)35-32-29-26-15-12-9-6-3)39-48-42(45)36-33-30-27-24-17-14-11-8-5-2/h16 ,18,20-21,23,25,40H,4-15,17,19,22,24,26-39H2,1-3H3/b18-16-,21-20-,25-23-/t40-/m1 /s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |