5-Methoxyglucobrassicin
IUPAC 名称
{[(Z)-[2-(5-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid
描述
5-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-methoxyglucobrassicin can be found in broccoli, cauliflower, and kohlrabi, which makes 5-methoxyglucobrassicin a potential biomarker for the consumption of these food products.
异构
OC[C@H]1O[C@@H](S\C(=N/OS(O)(=O)=O)CC2=CNC3=CC=C(OC)C=C23)[C@H](O)[C@@H](O)[C@@H]1O
InChI标识符
InChI=1S/C17H22N2O10S2/c1-27-9-2-3-11-10(5-9)8(6-18-11)4-13(19-29-31(24,25)26)30-17-16(23)15(22)14(21)12(7-20)28-17/h2-3,5-6,12,14-18,20-23H,4,7H2,1H3,(H,24,25,26)/b19-13-/t12-,14-,15+,16-,17+/m1/s1
键
VGSOGNUJYYDTSG-QEERMAAGSA-N