In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030192Y6 |
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Common Name | TG(14:1(9Z)/18:4(9E,11E,13E,15E)/10:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-decanoyl-sn- glycerol |
Synonyms | TG(42:5); TG(10:0_14:1_18:4) |
Exact Mass | |
Formula | C45H76O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | PJQWQEQCOLVCNF-WACDRYGCSA-N |
InChI | InChI=1S/C45H76O6/c1-4-7-10-13-16-18-20-21-22-23-25-27-30-33-36-39-45(48)51-42(4 0-49-43(46)37-34-31-28-15-12-9-6-3)41-50-44(47)38-35-32-29-26-24-19-17-14-11-8-5 -2/h7,10,13-14,16-18,20-22,42H,4-6,8-9,11-12,15,19,23-41H2,1-3H3/b10-7+,16-13+,1 7-14-,20-18+,22-21+/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCC/C=C\CCC C)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |