In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030491D2 |
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Common Name | TG(P-18:1(11Z)/15:1(9Z)/12:0) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(9Z-pentadecenoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-18:1_12:0_15:1) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | YEEZXDBWVHXYLS-YFELJBAXSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-34-37-40-43-51-44-46(4 5-52-47(49)41-38-35-32-29-18-15-12-9-6-3)53-48(50)42-39-36-33-30-27-22-20-17-14- 11-8-5-2/h17,19-21,40,43,46H,4-16,18,22-39,41-42,44-45H2,1-3H3/b20-17-,21-19-,43 -40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |