In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AD5 |
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Common Name | TG(P-14:0/11:0/22:5(4Z,7Z,10Z,13Z,16Z)) |
Systematic Name | 2-undecanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol |
Synonyms | TG(P-47:5); TG(P-14:0_11:0_22:5) |
Exact Mass | |
Formula | C50H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | JXIDEUUSMVVWFY-NXSGWVNYSA-N |
InChI | InChI=1S/C50H86O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-32-35-37-40-43-4 9(51)54-47-48(55-50(52)44-41-38-34-18-15-12-9-6-3)46-53-45-42-39-36-33-31-22-20- 17-14-11-8-5-2/h16,19,23-24,26-27,29-30,35,37,42,45,48H,4-15,17-18,20-22,25,28,3 1-34,36,38-41,43-44,46-47H2,1-3H3/b19-16-,24-23-,27-26-,30-29-,37-35-,45-42-/t48 -/m1/s1 |
SMILES | C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\C CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |