In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049VOM |
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Common Name | TG(P-18:0/12:0/16:1(9Z)) |
Systematic Name | 1-(1Z-octadecenyl)-2-dodecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(P-46:1); TG(P-18:0_12:0_16:1) |
Exact Mass | |
Formula | C49H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | XBFMHLDHFRMKEA-KLWMKAQLSA-N |
InChI | InChI=1S/C49H92O5/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-44-52-45-47(5 4-49(51)43-40-37-34-30-18-15-12-9-6-3)46-53-48(50)42-39-36-33-31-28-26-22-20-17- 14-11-8-5-2/h20,22,41,44,47H,4-19,21,23-40,42-43,45-46H2,1-3H3/b22-20-,44-41-/t4 7-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |