In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019QDW |
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Common Name | TG(13:0/12:0/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-tridecanoyl-2-dodecanoyl-3-(9E,11E,13E,15E-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 | TVCXSIKMTHLPSH-QXEPPHPOSA-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/h7,10,13,16,19,21-23,43H,4-6,8-9,11-12,14-15,17-18,20,24-42H2,1-3H3/b10-7+ ,16-13+,21-19+,23-22+/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCC) =O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |