In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AF9 |
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Common Name | TG(P-14:0/12:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 2-dodecanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol |
Synonyms | TG(P-46:4); TG(P-14:0_12:0_20:4) |
Exact Mass | |
Formula | C49H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | WOFJEYJUGUUTSU-OKVYOAEQSA-N |
InChI | InChI=1S/C49H86O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-31-33-36-39-42-48(50)5 3-46-47(54-49(51)43-40-37-34-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-22-20-17- 14-11-8-5-2/h10,13,19,21,24-25,27-28,41,44,47H,4-9,11-12,14-18,20,22-23,26,29-40 ,42-43,45-46H2,1-3H3/b13-10+,21-19+,25-24+,28-27+,44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCC CCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |