In-Silico Structure database (LMISSD)
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LM ID | LMGL030492XT |
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Common Name | TG(P-18:1(11Z)/18:3(6Z,9Z,12Z)/10:0) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-decanoyl-sn-glycerol |
Synonyms | TG(P-46:4); TG(P-18:1_10:0_18:3) |
Exact Mass | |
Formula | C49H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | GDVRSKGOMFZXPR-DPTLYXCTSA-N |
InChI | InChI=1S/C49H86O5/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-44-52-45-47(4 6-53-48(50)42-39-36-33-15-12-9-6-3)54-49(51)43-40-37-34-31-29-27-25-23-21-19-17- 14-11-8-5-2/h17-20,23,25,29,31,41,44,47H,4-16,21-22,24,26-28,30,32-40,42-43,45-4 6H2,1-3H3/b19-17-,20-18-,25-23-,31-29-,44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C \CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |