1.02010-04-08 22:10:06 UTC2019-11-26 03:06:34 UTCFDB012322ProgoitrinPresent in red cabbage, Brussel sprouts, savoy cabbage, Brassica napus (rape seed) and other Brassica subspecies
Progoitrin is a biochemical that is found in some food, which is inactive but after ingestion is converted to goitrin. Goitrin decrease the thyroid hormone production.1-Thio-b-D-glucopyranose 1-[3-hydroxy-N-(sulfooxy)-4-pentenimidate], 9CI2-Hydroxy-3-butenyl glucosinolate2(R)-2-Hydroxy-3-butenyl glucosinolateGlucorapiferinC11H19NO10S2389.399389.045037213({[(3R)-3-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino}oxy)sulfonic acid{[(3R)-3-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino}oxysulfonic acid585-95-5OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1OInChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+MYHSVHWQEVDFQT-KPKJPENVSA-N belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.AlkylglucosinolatesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAliphatic heteromonocyclic compoundsHydrocarbon derivativesMonothioacetalsOrganic oxidesOrganic sulfuric acids and derivativesOrganonitrogen compoundsOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsSulfenyl compoundsThioglycosidesAlcoholAliphatic heteromonocyclic compoundAlkylglucosinolateGlycosyl compoundHydrocarbon derivativeMonothioacetalOrganic nitrogen compoundOrganic oxideOrganic sulfuric acid or derivativesOrganoheterocyclic compoundOrganonitrogen compoundOrganosulfur compoundOxacycleOxanePolyolPrimary alcoholS-glycosyl compoundSecondary alcoholSulfenyl compoundGlucosinolates derived from methioninexi-progoitrinlogp-3.8pka_strongest_acidic-3.6pka_strongest_basic-0.45iupac({[(3R)-3-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino}oxy)sulfonic acidaverage_mass389.399mono_mass389.045037213smilesOCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1OformulaC11H19NO10S2inchiInChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+inchikeyMYHSVHWQEVDFQT-KPKJPENVSA-Npolar_surface_area186.34refractivity80.66polarizability34.82rotatable_bond_count8acceptor_count10donor_count6physiological_charge-1formal_charge0HMDB340718454#<Reference:0x00005556740230a8>BrassicasUnknowngeneric3705BroccoliType 1specificBrassica oleracea var. italica367746.620067.3995.452umol/g Brussel sproutsType 1specificBrassica oleracea var. gemmifera17861651.7951.7951.79umol/gCabbageType 1specificBrassica oleracea var. capitata3716CapersType 1specificCapparis spinosa65558CauliflowerType 1specificBrassica oleracea var. botrytis37155.06856.83.337umol/gChinese cabbageType 1specificBrassica rapa3711Chinese mustardType 1specificBrassica juncea3707Common cabbageType 1specificBrassica oleracea3712Garden cressType 1specificLepidium sativum33125KaleType 1specificBrassica napus var. pabulariaKohlrabiType 1specificBrassica oleracea var. gongylodes109379MustardType 2specificRapeType 1specificBrassica napus var. napus138011Savoy cabbageType 1specificBrassica oleracea var. sabauda1216010SwedeType 1specificBrassica napus3708TurnipType 1specificBrassica rapa var. rapa51350White cabbageType 1specificBrassica oleracea L. var. capitata L. f. alba DC.White mustardType 1specificSinapis alba3728bitterquinone-reductase inducer1277