In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049N4B |
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Common Name | TG(P-16:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/11:0) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-undecanoyl- sn-glycerol |
Synonyms | TG(P-47:6); TG(P-16:1_11:0_20:5) |
Exact Mass | |
Formula | C50H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | QHJDDBUTCURQEU-QDLOIXDZSA-N |
InChI | InChI=1S/C50H84O5/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-32-35-38-41-44-50(52)5 5-48(47-54-49(51)43-40-37-34-18-15-12-9-6-3)46-53-45-42-39-36-33-31-29-24-22-20- 17-14-11-8-5-2/h7,10,14,16-17,19,23,25,27-28,32,35,42,45,48H,4-6,8-9,11-13,15,18 ,20-22,24,26,29-31,33-34,36-41,43-44,46-47H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,2 8-27-,35-32-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCC CCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |