1.0 2010-04-08 22:10:27 UTC 2025-11-18 23:40:26 UTC FDB012968 Gliadin Isolated from wheat flour or wheat gluten Gliadin is a glycoprotein present in wheat and several other cereals within the grass genus Triticum. Gliadins are prolamins and are separated on the basis of electrophoretic mobility and isoelectric focusing. Gliadin is found in wheat, cereals and cereal products, and common wheat. Gliadins C29H41N7O9 631.687 631.296575928 2-{[(1-{2-[({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid 2-{[(1-{2-[({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=NC(CCC(O)=N)C(=O)N1CCCC1C(O)=NC(CCC(O)=N)C(O)=O InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45) HZWWPUTXBJEENE-UHFFFAOYSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Fatty amides Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Primary carboxylic acid amides Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Primary aliphatic amine Primary amine Primary carboxylic acid amide Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide logp -1.12 ALOGPS logs -3.75 ALOGPS solubility 1.13e-01 g/l ALOGPS logp -7.7 ChemAxon pka_strongest_acidic -0.85 ChemAxon pka_strongest_basic 13.01 ChemAxon iupac 2-{[(1-{2-[({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid ChemAxon average_mass 631.687 ChemAxon mono_mass 631.296575928 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=NC(CCC(O)=N)C(=O)N1CCCC1C(O)=NC(CCC(O)=N)C(O)=O ChemAxon formula C29H41N7O9 ChemAxon inchi InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45) ChemAxon inchikey HZWWPUTXBJEENE-UHFFFAOYSA-N ChemAxon polar_surface_area 277.51 ChemAxon refractivity 179.81 ChemAxon polarizability 63.83 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 188061 Specdb::NmrOneD 188062 Specdb::NmrOneD 188063 Specdb::NmrOneD 188064 Specdb::NmrOneD 188065 Specdb::NmrOneD 188066 Specdb::NmrOneD 188067 Specdb::NmrOneD 188068 Specdb::NmrOneD 188069 Specdb::NmrOneD 188070 Specdb::NmrOneD 188071 Specdb::NmrOneD 188072 Specdb::NmrOneD 188073 Specdb::NmrOneD 188074 Specdb::NmrOneD 188075 Specdb::NmrOneD 188076 Specdb::NmrOneD 188077 Specdb::NmrOneD 188078 Specdb::NmrOneD 188079 Specdb::NmrOneD 188080 Specdb::CMs 896963 Specdb::CMs 896964 Specdb::CMs 896965 Specdb::CMs 896966 Specdb::CMs 896967 Specdb::CMs 896968 Specdb::CMs 896969 Specdb::CMs 896970 Specdb::CMs 896971 Specdb::CMs 896972 Specdb::CMs 896973 Specdb::CMs 896974 Specdb::CMs 896975 Specdb::CMs 896976 Specdb::CMs 896977 Specdb::CMs 896978 Specdb::CMs 896979 Specdb::CMs 896980 Specdb::CMs 896981 Specdb::CMs 896982 Specdb::CMs 896983 Specdb::CMs 896984 Specdb::CMs 896985 Specdb::CMs 896986 Specdb::CMs 896987 Specdb::MsMs 72801 Specdb::MsMs 72802 Specdb::MsMs 72803 Specdb::MsMs 131799 Specdb::MsMs 131800 Specdb::MsMs 131801 Specdb::MsMs 3436417 Specdb::MsMs 3436418 Specdb::MsMs 3436419 Specdb::MsMs 3436420 Specdb::MsMs 3436421 Specdb::MsMs 3436422 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common wheat Type 1 specific Triticum aestivum 4565 Wheat Type 1 specific Triticum 4564