In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049HPS |
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Common Name | TG(P-16:0/18:4(9E,11E,13E,15E)/12:0) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-dodecanoyl-sn- glycerol |
Synonyms | TG(P-46:4); TG(P-16:0_12:0_18:4) |
Exact Mass | |
Formula | C49H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | SMZZTLINXPVWTM-LNUUISQFSA-N |
InChI | InChI=1S/C49H86O5/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/h7,10,13,16,19,21,23,25,41,44,47H,4-6,8-9,11-12,14-15,17-18,20,22,24 ,26-40,42-43,45-46H2,1-3H3/b10-7+,16-13+,21-19+,25-23+,44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCCCCCC CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |