EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52402 - 2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone

ChEBI IDCHEBI:52402
ChEBI Name2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone
Stars
ASCII Name2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone
DefinitionA 1-deoxy-D-ribitol-5-phosphate having a (5,6-diamino-4-oxopyrimidin-2-yl)amino group at the 1-position.
Secondary ChEBI IDCHEBI:52957
Last Modified21 January 2016
Submitterkieran, Kristian Axelsen
DownloadsMolfile
FormulaC9H18N5O8P
Net Charge0
Average Mass355.244
Monoisotopic Mass355.08930
SMILESNc1nc(NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c(N)c(=O)n1
InChIInChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1
InChIKeyACIVVGBVOVHFPQ-RPDRRWSUSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402) is a N-glycosyl compound (CHEBI:21731)
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402) is a aminopyrimidine (CHEBI:38338)
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402) is a pyrimidone (CHEBI:38337)
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402) is a ribitol phosphate (CHEBI:26554)
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402) is conjugate acid of 2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphate(2−) (CHEBI:58890)
Incoming Relation(s)
2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphate(2−) (CHEBI:58890) is conjugate base of 2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone (CHEBI:52402)
IUPAC Names 
1-deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-5-O-phosphono-D-ribitol
1-[(5-amino-6-hydroxy-2-imino-2,3-dihydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphono-D-ribitol
Synonyms  Source
2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-oneChEBI
2,5-diamino-6-(1-D-ribitylamino)-4(3H)-pyrimidinone 5'-phosphateChEBI
2,5-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphateKEGG COMPOUND
Manual XrefsDatabases
C18910KEGG COMPOUND
Registry NumbersSources
Beilstein:6443990Beilstein
Citations