In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AH3 |
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Common Name | TG(P-14:0/13:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 2-tridecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol |
Synonyms | TG(P-45:4); TG(P-14:0_13:0_18:4) |
Exact Mass | |
Formula | C48H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | FDQJNCQDTXBATL-VGGBXRHHSA-N |
InChI | InChI=1S/C48H84O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-47(49)52-45-4 6(53-48(50)42-39-36-33-29-21-18-15-12-9-6-3)44-51-43-40-37-34-31-28-23-20-17-14- 11-8-5-2/h7,10,16,19,24-25,27,30,40,43,46H,4-6,8-9,11-15,17-18,20-23,26,28-29,31 -39,41-42,44-45H2,1-3H3/b10-7-,19-16-,25-24-,30-27-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCC CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |