In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049FS8 |
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Common Name | TG(P-16:0/13:0/18:2(2E,4E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-tridecanoyl-3-(2E,4E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(P-47:2); TG(P-16:0_13:0_18:2) |
Exact Mass | |
Formula | C50H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | DTFLEPJHYLYDKI-AKNNUZLRSA-N |
InChI | InChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-34-37-40-43-49(51)54-47-4 8(55-50(52)44-41-38-35-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-28-25-23-20- 17-14-11-8-5-2/h34,37,40,42-43,45,48H,4-33,35-36,38-39,41,44,46-47H2,1-3H3/b37-3 4+,43-40-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |