In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QBJ |
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Common Name | TG(P-16:1(9Z)/11:0/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-undecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn- glycerol |
Synonyms | TG(P-45:4); TG(P-16:1_11:0_18:3) |
Exact Mass | |
Formula | C48H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | ROTRRZWHUZUXHY-RAJBZKPSSA-N |
InChI | InChI=1S/C48H84O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-35-38-41-47(49)52-45-4 6(53-48(50)42-39-36-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-27-24-22-20-17-14- 11-8-5-2/h7,10,16,19-20,22-23,25,40,43,46H,4-6,8-9,11-15,17-18,21,24,26-39,41-42 ,44-45H2,1-3H3/b10-7-,19-16-,22-20-,25-23-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\ CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |