In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AHX |
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Common Name | TG(P-14:0/13:0/18:2(9E,11E)) |
Systematic Name | 2-tridecanoyl-3-(9E,11E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-14:0_13:0_18:2) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | GJGDIQUTZWVGMZ-BIHLMQBLSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-47(49)52-45-4 6(53-48(50)42-39-36-33-29-21-18-15-12-9-6-3)44-51-43-40-37-34-31-28-23-20-17-14- 11-8-5-2/h19,22,24-25,40,43,46H,4-18,20-21,23,26-39,41-42,44-45H2,1-3H3/b22-19+, 25-24+,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |