In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049R29 |
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Common Name | TG(P-16:1(9Z)/18:2(9Z,12Z)/11:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(9Z,12Z-octadecadienoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-45:3); TG(P-16:1_11:0_18:2) |
Exact Mass | |
Formula | C48H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | CBOMBWUWLLHLKO-XZYRZVBRSA-N |
InChI | InChI=1S/C48H86O5/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/h16,19-20,22-23,25,40,43,46H,4-15,17-18,21,24,26-39,41-42,44-45H2,1-3H3 /b19-16-,22-20-,25-23-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C\CCC CCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |