In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049R5M |
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Common Name | TG(P-16:1(9Z)/18:3(6Z,9Z,12Z)/13:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-tridecanoyl-sn- glycerol |
Synonyms | TG(P-47:4); TG(P-16:1_13:0_18:3) |
Exact Mass | |
Formula | C50H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | NNEMEZDWJKCYSL-WFGMXXTPSA-N |
InChI | InChI=1S/C50H88O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-35-38-41-44-50(52)55-48(4 7-54-49(51)43-40-37-34-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-28-25-23-20- 17-14-11-8-5-2/h16,19-20,23-24,26,29,32,42,45,48H,4-15,17-18,21-22,25,27-28,30-3 1,33-41,43-44,46-47H2,1-3H3/b19-16-,23-20-,26-24-,32-29-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCC/C= C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |