In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0304ASCC |
---|---|
Common Name | TG(P-22:0/12:0/12:0) |
Systematic Name | 1-(1Z-docosenyl)-2-dodecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(P-46:0); TG(P-22:0_12:0_12:0) |
Exact Mass | |
Formula | C49H94O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | MHRLWGCKHUZCAB-BSCSNSBOSA-N |
InChI | InChI=1S/C49H94O5/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-29-32-35-38-41-4 4-52-45-47(54-49(51)43-40-37-34-31-18-15-12-9-6-3)46-53-48(50)42-39-36-33-30-17- 14-11-8-5-2/h41,44,47H,4-40,42-43,45-46H2,1-3H3/b44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |