CHEBI:15652 - 5'-xanthylic acid

ChEBI IDCHEBI:15652
ChEBI Name5'-xanthylic acid
Stars
DefinitionA purine ribonucleoside 5'-monophosphate having xanthine as the nucleobase.
Secondary ChEBI IDsCHEBI:10067, CHEBI:10938, CHEBI:15324, CHEBI:27328
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H13N4O9P
Net Charge0
Average Mass364.207
Monoisotopic Mass364.04201
SMILESO=c1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChIKeyDCTLYFZHFGENCW-UUOKFMHZSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
5'-xanthylic acid (CHEBI:15652) has role Escherichia coli metabolite (CHEBI:76971)
5'-xanthylic acid (CHEBI:15652) has role metabolite (CHEBI:25212)
5'-xanthylic acid (CHEBI:15652) has role mouse metabolite (CHEBI:75771)
5'-xanthylic acid (CHEBI:15652) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
5'-xanthylic acid (CHEBI:15652) is a xanthosine 5'-phosphate (CHEBI:53012)
5'-xanthylic acid (CHEBI:15652) is conjugate acid of 5'-xanthylate(2−) (CHEBI:57464)
Incoming Relation(s)
urate D-ribonucleotide (CHEBI:17145) has functional parent 5'-xanthylic acid (CHEBI:15652)
5'-xanthylate(2−) (CHEBI:57464) is conjugate base of 5'-xanthylic acid (CHEBI:15652)
IUPAC Name 
5'-xanthylic acid
Synonyms  Source
Xanthosine 5'-phosphateKEGG COMPOUND
Xanthylic acidKEGG COMPOUND
XMPKEGG COMPOUND
(9-D-Ribosylxanthine)-5'-phosphateKEGG COMPOUND
(9-D-ribosylxanthine)-5'-phosphateChEBI
xanthosine monophosphateChEBI
Manual XrefsDatabases
C00655KEGG COMPOUND
C00655KEGG COMPOUND
XMPPDBeChem
C00007396KNApSAcK
Registry NumbersSources
Reaxys:59853Reaxys
CAS:523-98-8KEGG COMPOUND
CAS:523-98-8ChemIDplus
Citations