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CHEBI:37666 - 5'-acetylphosphoadenosine

ChEBI IDCHEBI:37666
ChEBI Name5'-acetylphosphoadenosine
Stars
Secondary ChEBI IDsCHEBI:1951, CHEBI:2405
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H16N5O8P
Net Charge0
Average Mass389.261
Monoisotopic Mass389.07365
SMILESCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKeyUBPVOHPZRZIJHM-WOUKDFQISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5'-acetylphosphoadenosine (CHEBI:37666) has role human metabolite (CHEBI:77746)
5'-acetylphosphoadenosine (CHEBI:37666) has role mouse metabolite (CHEBI:75771)
5'-acetylphosphoadenosine (CHEBI:37666) is a 5'-acylphosphoadenosine (CHEBI:16406)
IUPAC Name 
5'-O-[acetoxy(hydroxy)phosphoryl]adenosine
Synonyms  Source
5'-AcetylphosphoadenosineKEGG COMPOUND
Acetyl adenylateKEGG COMPOUND
5'-AcetylphosphoadenosineKEGG COMPOUND
Manual XrefsDatabases
C05993KEGG COMPOUND
Registry NumbersSources
CAS:13015-87-7KEGG COMPOUND