In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030496QA |
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Common Name | TG(P-18:1(9Z)/11:0/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-undecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn- glycerol |
Synonyms | TG(P-47:4); TG(P-18:1_11:0_18:3) |
Exact Mass | |
Formula | C50H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | BBJDUSMOFGRUKO-BRHRPQFFSA-N |
InChI | InChI=1S/C50H88O5/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-36-39-42-45-53-46-48(5 5-50(52)44-41-38-34-18-15-12-9-6-3)47-54-49(51)43-40-37-35-32-30-28-26-24-22-20- 17-14-11-8-5-2/h8,11,17,20,23-26,42,45,48H,4-7,9-10,12-16,18-19,21-22,27-41,43-4 4,46-47H2,1-3H3/b11-8-,20-17-,25-23-,26-24-,45-42-/t48-/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\ CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |