In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301GN2F |
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Common Name | TG(20:5(5Z,8Z,11Z,14Z,17Z)/10:0/13:0) |
Systematic Name | 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-decanoyl-3-tridecanoyl-sn-glycerol |
Synonyms | TG(43:5); TG(10:0_13:0_20:5) |
Exact Mass | |
Formula | C46H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | RTDMEHQTUZINTJ-IBBNSIEVSA-N |
InChI | InChI=1S/C46H78O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-28-31-33-36-39-45(48)5 1-42-43(52-46(49)40-37-34-29-15-12-9-6-3)41-50-44(47)38-35-32-30-27-19-17-14-11- 8-5-2/h7,10,16,18,21-22,24-25,28,31,43H,4-6,8-9,11-15,17,19-20,23,26-27,29-30,32 -42H2,1-3H3/b10-7-,18-16-,22-21-,25-24-,31-28-/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C =C\CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |