Neopterin
PubChem CID: 135398721
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| Compound Synonyms | neopterin, D-(+)-Neopterin, D-Neopterin, 2009-64-5, D-erythro-Neopterin, 6-D-erythro-Neopterin, L-Neopterin, Neopterin D-erythro-form, UNII-9PLD60N7SO, 9PLD60N7SO, 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE, 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin, NEOPTERIN [MI], EINECS 217-924-7, 2-AMINO-6-[(1S,2R)-1,2,3-TRIHYDROXYPROPYL]-3H-PTERIDIN-4-ONE, NEOPTERIN D-ERYTHRO-FORM [MI], (D-erythro-1,2,3-trihydroxypropyl)-pterin, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one, [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one, 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, [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, 6-D-threo-Monapterin, (+)-Neopterin, 670-65-5, 2-Amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone, Neopterin, (threo-D)-Isomer, Neopterin, (threo-L)-Isomer, 2-Amino-6-((1R,2R)-1,2,3-trihydroxypropyl)-4(3H)-pteridinone, 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, 2-Amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone, 4(3H)-Pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-, Neopterin, (erythro-D)-Isomer, Neopterin, (erythro-L)-Isomer, Neopterin, (R*, R*)-Isomer, (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, 4(3H)-PTERIDINONE, 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)-, 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone, 1,2,3-Proanetriol, D-6-(threo-1',2',3'-Trihydroxypropyl)pterin, (1S,2R)-1-(2-amino-4-hydroxypteridin-6-yl)propane-1,2,3-triol, 4(1H)-Pteridinone, 2-amino-6-(1,2,3-trihydroxypropyl)-, SCHEMBL59519, 2-amino-6-(1,2,3-trihydroxypropyl)-3,4-dihydropteridin-4-one, (-)-2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridine-4(1H)-one, 2-Amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)pteridine, CHEBI:49771, DTXSID90862811, 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-4(8H)-pteridone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3,4-dihydropteridin-4-one, AKOS024285557, AKOS024458275, CS-W020795, DB15050, HY-W040055, SMP1_000327, AS-56644, 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]-, (1r,2r)-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propane-1,2,3-triol, 2-AMINO-6-[(1S,2R)-1,2,3-TRIHYDROXYPROPYL]-8H-PTERIDIN-4-ONE, 7204-22-0 |
|---|---|
| Topological Polar Surface Area | 154.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 18.0 |
| Description | Neopterin is a catabolic product of guanosine triphosphate (GTP), a purine nucleotide. Neopterin belongs to the chemical group known as pteridines. It is synthesised by 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. [Wikipedia]. Erythroneopterin is found in soy bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -3.5 |
| Is Pains | False |
| Molecular Formula | C9H11N5O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BMQYVXCPAOLZOK-XINAWCOVSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 3.0 |
| Synonyms | 6-(D-Erythro-1,2,3-Trihydroxypropyl)pterin, 6-D-Erythro-Neopterin, D-Erythro-neopterin, D-Neopterin, Neopterin |
| Compound Name | Neopterin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 253.081 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 253.081 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 253.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.40716271111111124 |
| Inchi | InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1 |
| Smiles | C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H]([C@@H](CO)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all