EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:18406 - AICA ribonucleotide

ChEBI IDCHEBI:18406
ChEBI NameAICA ribonucleotide
Stars
DefinitionA 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative.
Secondary ChEBI IDsCHEBI:573, CHEBI:12102, CHEBI:18966, CHEBI:40739
Last Modified27 January 2016
DownloadsMolfile

FormulaC9H15N4O8P
Net Charge0
Average Mass338.213
Monoisotopic Mass338.06275
SMILES[H][C@]1(COP(=O)(O)O)O[C@@]([H])(n2cnc(C(N)=O)c2N)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
InChIKeyNOTGFIUVDGNKRI-UUOKFMHZSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - DOI (10.1034/j.1399-3054.2003.00030.x)
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
5-amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide
Synonyms  Source
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamideKEGG COMPOUND
5'-Phosphoribosyl-5-amino-4-imidazolecarboxamideKEGG COMPOUND
5'-Phospho-ribosyl-5-amino-4-imidazole carboxamideKEGG COMPOUND
AICARKEGG COMPOUND
5-Aminoimidazole-4-carboxamide ribotideKEGG COMPOUND
5-Phosphoribosyl-4-carbamoyl-5-aminoimidazoleKEGG COMPOUND
Manual XrefsDatabases
C04677KEGG COMPOUND
C04677KEGG COMPOUND
DB01700DrugBank
HMDB0001517HMDB
AICA_ribonucleotideWikipedia
AMZPDBeChem
C00007383KNApSAcK
YMDB01481YMDB
ECMDB01517ECMDB
Registry NumbersSources
Reaxys:52565Reaxys
CAS:3031-94-5KEGG COMPOUND
Citations