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:
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).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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