In-Silico Structure database (LMISSD)
| |
LM ID | LMGL02029AIH |
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Common Name | DG(O-16:1(9Z)/20:4(5Z,8Z,11Z,13E)/0:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycerol |
Synonyms | DG(O-36:5); DG(O-16:1_20:4) |
Exact Mass | |
Formula | C39H68O4 |
Category | Glycerolipids [GL] |
Main Class | Diradylglycerols [GL02] |
Sub Class | 1-alkyl,2-acylglycerols [GL0202] |
PubChem Compound ID (CID) | - |
InChIKey | SCTYDLFCLMGRIH-XOBLQHBDSA-N |
InChI | InChI=1S/C39H68O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(41)43- 38(36-40)37-42-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h13-17,19,21-22,26,28 ,38,40H,3-12,18,20,23-25,27,29-37H2,1-2H3/b15-13+,16-14-,19-17-,22-21-,28-26-/t3 8-/m0/s1 |
SMILES | OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |