In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049KZZ |
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Common Name | TG(P-16:1(11Z)/11:0/18:2(2E,4E)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-undecanoyl-3-(2E,4E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(P-45:3); TG(P-16:1_11:0_18:2) |
Exact Mass | |
Formula | C48H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | NOCCILBOHSWVCU-DPPVBRTKSA-N |
InChI | InChI=1S/C48H86O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-35-38-41-47(49)52-45-4 6(53-48(50)42-39-36-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-27-24-22-20-17-14- 11-8-5-2/h14,17,33,35,38,40-41,43,46H,4-13,15-16,18-32,34,36-37,39,42,44-45H2,1- 3H3/b17-14-,35-33+,41-38-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |