In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049RBL |
---|---|
Common Name | TG(P-16:1(9Z)/18:1(13Z)/11:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(13Z-octadecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-16:1_11:0_18:1) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | MLFVUCAWBXDRIM-MQVVCVIZSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-36-39-42-48(50)53-46(4 5-52-47(49)41-38-35-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-27-24-22-20-17-14- 11-8-5-2/h13,16,20,22,40,43,46H,4-12,14-15,17-19,21,23-39,41-42,44-45H2,1-3H3/b1 6-13-,22-20-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |