In-Silico Structure database (LMISSD)
| |
LM ID | LMGL02019AA4 |
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Common Name | DG(10:0/18:3(6Z,9Z,12Z)/0:0) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol |
Synonyms | DG(28:3); DG(10:0_18:3) |
Exact Mass | |
Formula | C31H54O5 |
Category | Glycerolipids [GL] |
Main Class | Diradylglycerols [GL02] |
Sub Class | Diacylglycerols [GL0201] |
PubChem Compound ID (CID) | - |
InChIKey | RUEOCQTVVNCABG-PELANJRHSA-N |
InChI | InChI=1S/C31H54O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(34)36-29(27- 32)28-35-30(33)25-23-21-19-10-8-6-4-2/h11-12,14-15,17-18,29,32H,3-10,13,16,19-28 H2,1-2H3/b12-11-,15-14-,18-17-/t29-/m0/s1 |
SMILES | OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |