In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049MBS |
---|---|
Common Name | TG(P-16:1(11Z)/18:1(9E)/12:0) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(9E-octadecenoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(P-46:2); TG(P-16:1_12:0_18:1) |
Exact Mass | |
Formula | C49H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | RHTZVVIROAWDHD-RGIQQXIXSA-N |
InChI | InChI=1S/C49H90O5/c1-4-7-10-13-16-19-21-23-25-26-28-31-34-37-40-43-49(51)54-47(4 6-53-48(50)42-39-36-33-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-27-24-22-20-17- 14-11-8-5-2/h14,17,23,25,41,44,47H,4-13,15-16,18-22,24,26-40,42-43,45-46H2,1-3H3 /b17-14-,25-23+,44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCC C |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |