In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049P9O |
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Common Name | TG(P-16:1(9Z)/10:0/20:4(5Z,8Z,11Z,14Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-decanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn- glycerol |
Synonyms | TG(P-46:5); TG(P-16:1_10:0_20:4) |
Exact Mass | |
Formula | C49H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | PQJMWBPVIZYREG-DHGARYSFSA-N |
InChI | InChI=1S/C49H84O5/c1-4-7-10-13-16-18-20-22-24-25-26-27-29-31-34-36-39-42-48(50)5 3-46-47(54-49(51)43-40-37-33-15-12-9-6-3)45-52-44-41-38-35-32-30-28-23-21-19-17- 14-11-8-5-2/h16,18-19,21-22,24,26-27,31,34,41,44,47H,4-15,17,20,23,25,28-30,32-3 3,35-40,42-43,45-46H2,1-3H3/b18-16-,21-19-,24-22-,27-26-,34-31-,44-41-/t47-/m1/s 1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCC/ C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |