In-Silico Structure database (LMISSD)
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LM ID | LMGL03019B7J |
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Common Name | TG(10:0/18:3(6Z,9Z,12Z)/13:0) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-tridecanoyl-sn-glycerol |
Synonyms | TG(41:3); TG(10:0_13:0_18:3) |
Exact Mass | |
Formula | C44H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | JDXTYOWIYODADB-ZWALKMASSA-N |
InChI | InChI=1S/C44H78O6/c1-4-7-10-13-16-18-20-21-22-23-24-26-29-32-35-38-44(47)50-41(3 9-48-42(45)36-33-30-27-15-12-9-6-3)40-49-43(46)37-34-31-28-25-19-17-14-11-8-5-2/ h16,18,21-22,24,26,41H,4-15,17,19-20,23,25,27-40H2,1-3H3/b18-16-,22-21-,26-24-/t 41-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[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) |