In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301HJ0T |
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Common Name | TG(22:5(4Z,7Z,10Z,13Z,16Z)/11:0/10:0) |
Systematic Name | 1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-undecanoyl-3-decanoyl-sn-glycerol |
Synonyms | TG(43:5); TG(10:0_11:0_22:5) |
Exact Mass | |
Formula | C46H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | JRGWXUWEQMQLOB-ZHMMGKANSA-N |
InChI | InChI=1S/C46H78O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-28-31-33-36-39-4 5(48)51-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-30-17-14-11- 8-5-2/h16,18,20-21,23-24,26-27,31,33,43H,4-15,17,19,22,25,28-30,32,34-42H2,1-3H3 /b18-16-,21-20-,24-23-,27-26-,33-31-/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\ CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |