In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049K0H |
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Common Name | TG(P-16:1(11Z)/11:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-undecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol |
Synonyms | TG(P-47:4); TG(P-16:1_11:0_20:3) |
Exact Mass | |
Formula | C50H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | NMWCEEQYVHOXEY-UDFLHAIUSA-N |
InChI | InChI=1S/C50H88O5/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-32-35-37-40-43-49(51)5 4-47-48(55-50(52)44-41-38-34-18-15-12-9-6-3)46-53-45-42-39-36-33-31-29-24-22-20- 17-14-11-8-5-2/h14,17,23,25,27-28,32,35,42,45,48H,4-13,15-16,18-22,24,26,29-31,3 3-34,36-41,43-44,46-47H2,1-3H3/b17-14-,25-23-,28-27-,35-32-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCC/ C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |