In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030491RU |
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Common Name | TG(P-18:1(11Z)/17:2(9Z,12Z)/10:0) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(9Z,12Z-heptadecadienoyl)-3-decanoyl-sn-glycerol |
Synonyms | TG(P-45:3); TG(P-18:1_10:0_17:2) |
Exact Mass | |
Formula | C48H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | IBANGEGBDJCGDS-KFROFYOYSA-N |
InChI | InChI=1S/C48H86O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-31-34-37-40-43-51-44-46(4 5-52-47(49)41-38-35-32-15-12-9-6-3)53-48(50)42-39-36-33-30-28-26-23-21-19-17-14- 11-8-5-2/h14,17-18,20-21,23,40,43,46H,4-13,15-16,19,22,24-39,41-42,44-45H2,1-3H3 /b17-14-,20-18-,23-21-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCCCC/C=C\CCC CCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |