Compound: neopterin
SMILES: O=c1nc([nH]c2c1nc(cn2)[C@H](O)[C@H](O)CO)N
InChIKey: BMQYVXCPAOLZOK-XINAWCOVSA-N
Synonyms: neopterin, 2009-64-5, D-Neopterin, D-erythro-Neopterin, 6-D-erythro-Neopterin, 9PLD60N7SO, 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin, DTXSID90862811, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one, 2-AMINO-6-[(1S,2R)-1,2,3-TRIHYDROXYPROPYL]-3H-PTERIDIN-4-ONE, 670-65-5, 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-1H-pteridin-4-one, 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-3H-pteridin-4-one, (S-(R*,S*))-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on, (S-(R*,S*))-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one, [S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on, [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one, Neopterin D-erythro-, RefChem:165362, 2-Amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone, 4(1H)-Pteridinone, 2-amino-6-(1,2,3-trihydroxypropyl)-, 2-amino-6-(1,2,3-trihydroxypropyl)-3,4-dihydropteridin-4-one, DTXCID301506442, 217-924-7, D-(+)-Neopterin, 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE, 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3,4-dihydropteridin-4-one, C9H11N5O4, 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-4(8H)-pteridone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one, [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one, (+)-Neopterin, Neopterin D-erythro-form, UNII-9PLD60N7SO, 4(3H)-Pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-, (S-(R*,S*))-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one, 4(3H)-PTERIDINONE, 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)-, EINECS 217-924-7, 1,2,3-Proanetriol, NEOPTERIN [MI], SCHEMBL59519, orb1296085, SCHEMBL6302108, 2-Amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)pteridine, SCHEMBL29424531, CHEBI:49771, (1S,2R)-1-(2-amino-4-hydroxypteridin-6-yl)propane-1,2,3-triol, MFCD00075457, AKOS024285557, AKOS024458275, NEOPTERIN D-ERYTHRO-FORM [MI], CS-W020795, DB15050, EBC-616180, HY-W040055, Sapropterin Impurity 22 (D-Neopterin), SMP1_000327, AS-56644, ST085512, (D-erythro-1,2,3-trihydroxypropyl)-pterin, C05926, Q908292, D-(+)-Neopterin, >=97.5% (sum of enantiomers, HPLC), 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl-4(8H)-pteridone, 4(8H)-pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-
Theoretical properties:
molecular_formula: C9H11N5O4
molecular_weight: 253.22 g/mol
exact_mass: 253.08110385 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 3
heavy_atom_count: 18
topological_polar_surface_area: 154 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: D-erythro-neopterin is a neopterin that has 1S,2R-configuration.
chebi: A neopterin that has 1<i>S</i>,2<i>R</i>-configuration.
wikipedia: Neopterin is an organic compound belonging to the pteridine class of heterocyclic compounds.
Neopterin belongs to the chemical group known as pteridines. It is synthesised by human macrophages upon stimulation with the cytokine interferon-gamma and is indicative of a pro-inflammatory immune status. Neopterin serves as a marker of cellular immune system activation. In humans neopterin follows a circadian (daily) and circaseptan (weekly) rhythm.