In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049Q2D |
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Common Name | TG(P-16:1(9Z)/17:2(9Z,12Z)/11:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(9Z,12Z-heptadecadienoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-44:3); TG(P-16:1_11:0_17:2) |
Exact Mass | |
Formula | C47H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | GCKKBSGKAWFBRV-DMYVRSFLSA-N |
InChI | InChI=1S/C47H84O5/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-47(49)52-45(44-5 1-46(48)40-37-34-31-18-15-12-9-6-3)43-50-42-39-36-33-30-28-26-24-22-20-17-14-11- 8-5-2/h13,16,20-23,39,42,45H,4-12,14-15,17-19,24-38,40-41,43-44H2,1-3H3/b16-13-, 22-20-,23-21-,42-39-/t45-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCC/C=C\CCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |