In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QDB |
---|---|
Common Name | TG(P-16:1(9Z)/12:0/17:1(9Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-dodecanoyl-3-(9Z-heptadecenoyl)-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-16:1_12:0_17:1) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | OHSGJESHSGKUMG-XWMFQVRSSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-25-27-30-32-35-38-41-47(49)52-45-46(5 3-48(50)42-39-36-33-29-18-15-12-9-6-3)44-51-43-40-37-34-31-28-26-24-22-20-17-14- 11-8-5-2/h20-23,40,43,46H,4-19,24-39,41-42,44-45H2,1-3H3/b22-20-,23-21-,43-40-/t 46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |