In-Silico Structure database (LMISSD)
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LM ID | LMGL02019HIY |
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Common Name | DG(18:3(6Z,9Z,12Z)/0:0/14:1(9Z)) |
Systematic Name | 1-(6Z,9Z,12Z-octadecatrienoyl)-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | DG(32:4); DG(14:1_18:3) |
Exact Mass | |
Formula | C35H60O5 |
Category | Glycerolipids [GL] |
Main Class | Diradylglycerols [GL02] |
Sub Class | Diacylglycerols [GL0201] |
PubChem Compound ID (CID) | - |
InChIKey | YCUUOJXNANRJOY-DNNRMAAOSA-N |
InChI | InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33( 36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,20,22,33,36H,3-9, 14-15,18-19,21,23-32H2,1-2H3/b12-10-,13-11-,17-16-,22-20-/t33-/m0/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |