Neopterin

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Systematic / IUPAC Name: 2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone

ID: Reference370

Other Names: 6-(D-Erythro-1,2,3-trihydroxypropyl)pterin;
2-Amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)pteridine;
2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl-4(8H)-pteridone;
(1S,2R)-1-(2-Amino-4-hydroxypteridin-6-yl)propane-1,2,3-triol;
2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone ; more

Formula: C9H11N5O4

Class: Endogenous Metabolites

Spectral Data

Neopterin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 387
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/9/2015 9:33:01 AM
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Identificators

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
InChI Key BMQYVXCPAOLZOK-XINAWCOVSA-N
Canonical SMILES O=C2\N=C(/Nc1ncc(nc12)C(O)C(O)CO)N
CAS 2009645
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Other Names 6-(D-Erythro-1,2,3-trihydroxypropyl)pterin;
2-Amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)pteridine;
2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl-4(8H)-pteridone;
(1S,2R)-1-(2-Amino-4-hydroxypteridin-6-yl)propane-1,2,3-triol;
2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone;
D-Neopterin;
D-(+)-Neopterin;
6-D-Erythro-neopterin;
1,2,3-Proanetriol

In Other Databases

Wikipedia Neopterin
ChemSpider 4300; 21211635
PubChem 448839
KEGG C05926