1.0 2010-04-08 22:10:06 UTC 2019-11-26 03:06:34 UTC FDB012322 Progoitrin Present 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], 9CI 2-Hydroxy-3-butenyl glucosinolate 2(R)-2-Hydroxy-3-butenyl glucosinolate Glucorapiferin C11H19NO10S2 389.399 389.045037213 ({[(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 acid 585-95-5 OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1O InChI=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. Alkylglucosinolates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Hydrocarbon derivatives Monothioacetals Organic oxides Organic sulfuric acids and derivatives Organonitrogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sulfenyl compounds Thioglycosides Alcohol Aliphatic heteromonocyclic compound Alkylglucosinolate Glycosyl compound Hydrocarbon derivative Monothioacetal Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organosulfur compound Oxacycle Oxane Polyol Primary alcohol S-glycosyl compound Secondary alcohol Sulfenyl compound Glucosinolates derived from methionine xi-progoitrin logp -3.8 ChemAxon pka_strongest_acidic -3.6 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac ({[(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 ChemAxon average_mass 389.399 ChemAxon mono_mass 389.045037213 ChemAxon smiles OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1O ChemAxon formula C11H19NO10S2 ChemAxon inchi InChI=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+ ChemAxon inchikey MYHSVHWQEVDFQT-KPKJPENVSA-N ChemAxon polar_surface_area 186.34 ChemAxon refractivity 80.66 ChemAxon polarizability 34.82 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB34071 8454 #<Reference:0x0000561272879d28> Brassicas Unknown generic 3705 Broccoli Type 1 specific Brassica oleracea var. italica 36774 6.62006 7.399 5.452 umol/g Brussel sprouts Type 1 specific Brassica oleracea var. gemmifera 178616 51.79 51.79 51.79 umol/g Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Capers Type 1 specific Capparis spinosa 65558 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 5.0685 6.8 3.337 umol/g Chinese cabbage Type 1 specific Brassica rapa 3711 Chinese mustard Type 1 specific Brassica juncea 3707 Common cabbage Type 1 specific Brassica oleracea 3712 Garden cress Type 1 specific Lepidium sativum 33125 Kale Type 1 specific Brassica napus var. pabularia Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 Mustard Type 2 specific Rape Type 1 specific Brassica napus var. napus 138011 Savoy cabbage Type 1 specific Brassica oleracea var. sabauda 1216010 Swede Type 1 specific Brassica napus 3708 Turnip Type 1 specific Brassica rapa var. rapa 51350 White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC. White mustard Type 1 specific Sinapis alba 3728 bitter quinone-reductase inducer 1277