In-Silico Structure database (LMISSD)
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LM ID | LMGL03019ABW |
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Common Name | TG(10:0/10:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)) |
Systematic Name | 1,2-di-decanoyl-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol |
Synonyms | TG(42:6); TG(10:0_10:0_22:6) |
Exact Mass | |
Formula | C45H74O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | AQWTYGAKONKDRY-OCWRIVJBSA-N |
InChI | InChI=1S/C45H74O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-26-27-30-32-35-38-4 4(47)50-41-42(51-45(48)39-36-33-29-15-12-9-6-3)40-49-43(46)37-34-31-28-14-11-8-5 -2/h7,10,16-17,20-23,25-26,30,32,42H,4-6,8-9,11-15,18-19,24,27-29,31,33-41H2,1-3 H3/b10-7-,17-16-,21-20+,23-22-,26-25-,32-30-/t42-/m1/s1 |
SMILES | C(OC(=O)CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCC CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |