EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49771 - D-erythro-neopterin

Default Structure
ChEBI IDCHEBI:49771
ChEBI NameD-erythro-neopterin
Stars
ASCII NameD-erythro-neopterin
DefinitionA neopterin that has 1S,2R-configuration.
Last Modified22 November 2024
DownloadsMolfile
FormulaC9H11N5O4
Net Charge0
Average Mass253.218
Monoisotopic Mass253.08110
SMILESNc1nc(=O)c2nc([C@H](O)[C@H](O)CO)cnc2n1
InChIInChI=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
InChIKeyBMQYVXCPAOLZOK-XINAWCOVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
D-erythro-neopterin (CHEBI:49771) is a neopterin (CHEBI:28670)
IUPAC Name 
2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one
Synonyms  Source
2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinoneChEBI
2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-4(8H)-pteridoneChEBI
6-(D-erythro-1,2,3-trihydroxypropyl)pterinChEBI
6-D-erythro-neopterinChEBI
D-(+)-neopterinChEBI
D-neopterinChEBI
UniProt Name  Source
D-erythro-neopterinUniProt
Manual XrefsDatabases
C05926KEGG COMPOUND
NEUPDBeChem
Registry NumbersSources
Reaxys:89070Reaxys
CAS:2009-64-5KEGG COMPOUND
Citations