In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019N4A |
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Common Name | TG(12:0/20:5(5Z,8Z,11Z,14Z,17Z)/10:0) |
Systematic Name | 1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-decanoyl-sn-glycerol |
Synonyms | TG(42:5); TG(10:0_12:0_20:5) |
Exact Mass | |
Formula | C45H76O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | KPWSZXFDIDWBEL-GYAFQZHESA-N |
InChI | InChI=1S/C45H76O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-27-30-33-36-39-45(48)5 1-42(40-49-43(46)37-34-31-28-15-12-9-6-3)41-50-44(47)38-35-32-29-26-17-14-11-8-5 -2/h7,10,16,18,20-21,23-24,27,30,42H,4-6,8-9,11-15,17,19,22,25-26,28-29,31-41H2, 1-3H3/b10-7-,18-16-,21-20-,24-23-,30-27-/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC CCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |