In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301A2D6 |
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Common Name | TG(17:1(9Z)/14:1(9Z)/11:0) |
Systematic Name | 1-(9Z-heptadecenoyl)-2-(9Z-tetradecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(42:2); TG(11:0_14:1_17:1) |
Exact Mass | |
Formula | C45H82O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | MOFDIRHRRDTFQU-DDYHMKCCSA-N |
InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-19-21-22-23-25-26-29-32-35-38-44(47)50-41-42(4 0-49-43(46)37-34-31-28-18-15-12-9-6-3)51-45(48)39-36-33-30-27-24-20-17-14-11-8-5 -2/h14,17,21-22,42H,4-13,15-16,18-20,23-41H2,1-3H3/b17-14-,22-21-/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |