In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QC8 |
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Common Name | TG(P-16:1(9Z)/12:0/16:1(7Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-dodecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(P-44:2); TG(P-16:1_12:0_16:1) |
Exact Mass | |
Formula | C47H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | KTBRXBCAYZPIAT-BQWHUVOGSA-N |
InChI | InChI=1S/C47H86O5/c1-4-7-10-13-16-19-21-23-25-27-30-33-36-39-42-50-43-45(52-47(4 9)41-38-35-32-28-18-15-12-9-6-3)44-51-46(48)40-37-34-31-29-26-24-22-20-17-14-11- 8-5-2/h19,21,24,26,39,42,45H,4-18,20,22-23,25,27-38,40-41,43-44H2,1-3H3/b21-19-, 26-24-,42-39-/t45-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |