{"id":2641,"npaid":"NPA002641","original_name":"Biopterin-a-glucoside","mol_formula":"C15H21N5O8","mol_weight":"399.3600","exact_mass":"399.1390","inchikey":"UBSQWCUHJNTZFU-STDHHERASA-N","smiles":"C[C@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)OC3C(C(C(C(O3)CO)O)O)O","cluster_id":1555,"node_id":1277,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H21N5O8/c1-4(27-14-11(25)10(24)9(23)6(3-21)28-14)8(22)5-2-17-12-7(18-5)13(26)20-15(16)19-12/h2,4,6,8-11,14,21-25H,3H2,1H3,(H3,16,17,19,20,26)/t4-,6?,8+,9?,10?,11?,14?/m1/s1","m_plus_h":"400.1463","m_plus_na":"422.1282","origin_reference":{"doi":"10.1007/pl00011769","pmid":null,"authors":"Noguchi, Yukinori; Ishii, Asako; Matsushima, Ayako; Haishi, Daisuke; Yasumuro, Ken-ichi; Moriguchi, Tomohisa; Wada, Takeshi; Kodera, Yoh; Hiroto, Misao; Nishimura, Hiroyuki; Sekine, Mitsuo; Inada, Yuji","title":"Isolation of Biopterin-α-glucoside from Spirulina (Arthrospira) platensis and Its Physiologic Function","journal":"Marine Biotechnology","year":1999,"volume":"1","issue":"2","pages":"207-210"},"origin_organism":{"id":1724,"type":"Bacterium","genus":"Spirulina","species":"(Arthrospira) platensis","taxon":{"id":500,"name":"Spirulina","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1154,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":498,"name":"Spirulinales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1890443},{"id":499,"name":"Spirulinaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1890448}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1007/pl00011769","structure_smiles":"C[C@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)OC3C(C(C(C(O3)CO)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000109","name":"Pteridines and derivatives","chemont_id":"CHEMONTID:0000109","description":"Polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form  pyrimido(4,5-b)pyrazine."},"smiles":"C[C@@H](OC1OC(CO)C(O)C(O)C1O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=UBSQWCUHJNTZFU-STDHHERASA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000110","name":"Pterins and derivatives","chemont_id":"CHEMONTID:0000110","description":"Polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one."},"ancestors":["Acetals","Alcohols and polyols","Amines","Aminopyrimidines and derivatives","Aromatic alcohols","Azacyclic compounds","Biopterins and derivatives","Carbohydrates and carbohydrate conjugates","Chemical entities","Diazines","Ethers","Glycosyl compounds","Heteroaromatic compounds","Hexoses","Hydrocarbon derivatives","Lactams","Monosaccharides","O-glycosyl compounds","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Polyols","Primary alcohols","Primary amines","Pteridines and derivatives","Pterins and derivatives","Pyrazines","Pyrimidines and pyrimidine derivatives","Pyrimidones","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.","substituents":["Biopterin","Hexose monosaccharide","Glycosyl compound","O-glycosyl compound","Aminopyrimidine","Pyrimidone","Monosaccharide","Oxane","Pyrimidine","Pyrazine","Heteroaromatic compound","Lactam","Secondary alcohol","Acetal","Oxacycle","Azacycle","Polyol","Organooxygen compound","Organonitrogen compound","Amine","Alcohol","Hydrocarbon derivative","Organic oxide","Organopnictogen compound","Organic oxygen compound","Aromatic alcohol","Organic nitrogen compound","Primary alcohol","Primary amine","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001651","name":"Biopterins and derivatives","chemont_id":"CHEMONTID:0001651","description":"Coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001498","name":"Hexoses","chemont_id":"CHEMONTID:0001498","description":"Monosaccharides in which the sugar unit is a is a six-carbon containing moeity."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002207","name":"O-glycosyl compounds","chemont_id":"CHEMONTID:0002207","description":"Glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000291","name":"Pyrimidones","chemont_id":"CHEMONTID:0000291","description":"Compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001262","name":"Aminopyrimidines and derivatives","chemont_id":"CHEMONTID:0001262","description":"Organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000067","name":"Pyrazines","chemont_id":"CHEMONTID:0000067","description":"Compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000160","name":"Lactams","chemont_id":"CHEMONTID:0000160","description":"Compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001656","name":"Acetals","chemont_id":"CHEMONTID:0001656","description":"Compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003073","name":"Aromatic alcohols","chemont_id":"CHEMONTID:0003073","description":"Compounds containing an alcohol group attached to an aromatic carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000286","name":"Primary alcohols","chemont_id":"CHEMONTID:0000286","description":"Compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002450","name":"Primary amines","chemont_id":"CHEMONTID:0002450","description":"Amines having the nitrogen atom linked to exactly one hydrocarbyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["hexose (CHEBI:18133)","glycoside (CHEBI:24400)","pyrimidone (CHEBI:38337)","aminopyrimidine (CHEBI:38338)","pyrazines (CHEBI:38314)","oxanes (CHEBI:46942)","organic aromatic compound (CHEBI:33659)","secondary alcohol (CHEBI:35681)","lactam (CHEBI:24995)","acetal (CHEBI:59769)","organonitrogen heterocyclic compound (CHEBI:38101)","polyol (CHEBI:26191)","oxacycle (CHEBI:38104)","aromatic alcohol (CHEBI:33854)","primary alcohol (CHEBI:15734)","organic molecule (CHEBI:72695)","primary amine (CHEBI:32877)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic oxide (CHEBI:25701)","biopterins (CHEBI:22881)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","organooxygen compound (CHEBI:36963)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","monosaccharide (CHEBI:35381)","organic heterocyclic compound (CHEBI:24532)","diazines (CHEBI:38313)","pyrimidines (CHEBI:39447)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","ether (CHEBI:25698)","nitrogen molecular entity (CHEBI:51143)","organonitrogen compound (CHEBI:35352)","amine (CHEBI:32952)","pteridines (CHEBI:26373)","pterins (CHEBI:26375)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":true,"class_results":[],"pathway_results":["Alkaloids"],"superclass_results":[]}}