1.0 2010-04-08 22:13:29 UTC 2019-11-26 03:15:40 UTC FDB018080 (2S,2'S)-Pyrosaccharopine Isolated from edible dried shiitake mushroom (Lentinus edodes) and buckwheat seeds (Fagopyrum esculentum). (2S,2'S)-Pyrosaccharopine is found in mushrooms and cereals and cereal products. C11H18N2O5 258.271 258.121571696 1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid 1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid 38495-84-0 NC(CCCCN1C(CCC1=O)C(O)=O)C(O)=O InChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18) KZGLERZNBKMMPP-UHFFFAOYSA-N belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Proline and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alpha amino acids Amino acids Amino fatty acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heterocyclic fatty acids Hydrocarbon derivatives Lactams Medium-chain fatty acids Monoalkylamines N-alkylpyrrolidines Organic oxides Organopnictogen compounds Oxoprolines Pyrrolidine carboxylic acids Pyrrolidine-2-ones Tertiary carboxylic acid amides 2-pyrrolidone Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Azacycle Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Lactam Medium-chain fatty acid N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxoproline Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Pyrrolidone Tertiary carboxylic acid amide logp -2.95 ALOGPS logs -1.17 ALOGPS solubility 1.77e+01 g/l ALOGPS melting_point Mp 245-248 dec. (225-227°) logp -3.1 ChemAxon pka_strongest_acidic 1.97 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac 1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid ChemAxon average_mass 258.271 ChemAxon mono_mass 258.121571696 ChemAxon smiles NC(CCCCN1C(CCC1=O)C(O)=O)C(O)=O ChemAxon formula C11H18N2O5 ChemAxon inchi InChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18) ChemAxon inchikey KZGLERZNBKMMPP-UHFFFAOYSA-N ChemAxon polar_surface_area 120.93 ChemAxon refractivity 60.88 ChemAxon polarizability 26.06 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26414 Specdb::CMs 45970 Specdb::CMs 166874 Specdb::MsMs 80472 Specdb::MsMs 80473 Specdb::MsMs 80474 Specdb::MsMs 141354 Specdb::MsMs 141355 Specdb::MsMs 141356 Specdb::MsMs 2413480 Specdb::MsMs 2413481 Specdb::MsMs 2413482 Specdb::MsMs 2552210 Specdb::MsMs 2552211 Specdb::MsMs 2552212 Specdb::NmrOneD 27962 Specdb::NmrOneD 27963 Specdb::NmrOneD 27964 Specdb::NmrOneD 27965 Specdb::NmrOneD 27966 Specdb::NmrOneD 27967 Specdb::NmrOneD 27968 Specdb::NmrOneD 27969 Specdb::NmrOneD 27970 Specdb::NmrOneD 27971 Specdb::NmrOneD 27972 Specdb::NmrOneD 27973 Specdb::NmrOneD 27974 Specdb::NmrOneD 27975 Specdb::NmrOneD 27976 Specdb::NmrOneD 27977 Specdb::NmrOneD 27978 Specdb::NmrOneD 27979 Specdb::NmrOneD 27980 Specdb::NmrOneD 27981 HMDB38676 #<Reference:0x000055ce327f9620> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322