In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AQ5 |
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Common Name | TG(P-14:0/15:1(9Z)/18:2(9E,11E)) |
Systematic Name | 2-(9Z-pentadecenoyl)-3-(9E,11E-octadecadienoyl)-sn-glycerol |
Synonyms | TG(P-47:3); TG(P-14:0_15:1_18:2) |
Exact Mass | |
Formula | C50H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | RMDLKWREDSJRDK-HFYJNITJSA-N |
InChI | InChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-49(51)54-47-4 8(46-53-45-42-39-36-33-30-24-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-28-23-20- 17-14-11-8-5-2/h17,19-20,22,25-26,42,45,48H,4-16,18,21,23-24,27-41,43-44,46-47H2 ,1-3H3/b20-17-,22-19+,26-25+,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCCCC CCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |