In-Silico Structure database (LMISSD)
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LM ID | LMGL03019QDV |
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Common Name | TG(13:0/12:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-tridecanoyl-2-dodecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol |
Synonyms | TG(43:4); TG(12:0_13:0_18:4) |
Exact Mass | |
Formula | C46H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | PMVGRKHXXIQBNF-KISCDLBPSA-N |
InChI | InChI=1S/C46H80O6/c1-4-7-10-13-16-19-21-22-23-24-25-28-30-33-36-39-45(48)51-42-4 3(52-46(49)40-37-34-31-26-18-15-12-9-6-3)41-50-44(47)38-35-32-29-27-20-17-14-11- 8-5-2/h7,10,16,19,22-23,25,28,43H,4-6,8-9,11-15,17-18,20-21,24,26-27,29-42H2,1-3 H3/b10-7-,19-16-,23-22-,28-25-/t43-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCC CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |