In-Silico Structure database (LMISSD)
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LM ID | LMGL03049IQN |
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Common Name | TG(P-16:0/20:4(7E,10E,13E,16E)/11:0) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-47:4); TG(P-16:0_11:0_20:4) |
Exact Mass | |
Formula | C50H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | ZOIMWDYLBRMFQT-WDVOWOEZSA-N |
InChI | InChI=1S/C50H88O5/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/h10,13,19,21,25-26,28,30,42,45,48H,4-9,11-12,14-18,20,22-24,27,29 ,31-41,43-44,46-47H2,1-3H3/b13-10+,21-19+,26-25+,30-28+,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)CO/C=C\CCCCCC CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |