In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019AFD |
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Common Name | TG(10:0/12:0/18:1(13Z)) |
Systematic Name | 1-decanoyl-2-dodecanoyl-3-(13Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(40:1); TG(10:0_12:0_18:1) |
Exact Mass | |
Formula | C43H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CCZQQEOGWHORRK-LQYADDJZSA-N |
InChI | InChI=1S/C43H80O6/c1-4-7-10-13-16-18-19-20-21-22-23-25-27-30-33-36-42(45)48-39-4 0(38-47-41(44)35-32-29-26-15-12-9-6-3)49-43(46)37-34-31-28-24-17-14-11-8-5-2/h13 ,16,40H,4-12,14-15,17-39H2,1-3H3/b16-13-/t40-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |