In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030491PK |
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Common Name | TG(P-18:1(11Z)/17:1(9Z)/11:0) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(9Z-heptadecenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-46:2); TG(P-18:1_11:0_17:1) |
Exact Mass | |
Formula | C49H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | IUFNKTXTRQTLOS-UXSPDQHLSA-N |
InChI | InChI=1S/C49H90O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-52-45-47(4 6-53-48(50)42-39-36-33-18-15-12-9-6-3)54-49(51)43-40-37-34-31-29-27-24-22-20-17- 14-11-8-5-2/h19,21-22,24,41,44,47H,4-18,20,23,25-40,42-43,45-46H2,1-3H3/b21-19-, 24-22-,44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCC C |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |