CHEBI:37666 - 5'-acetylphosphoadenosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5'-acetylphosphoadenosine
ChEBI ID CHEBI:37666
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2405, CHEBI:1951
Supplier Information
Download Molfile XML SDF
Formula C12H16N5O8P
Net Charge 0
Average Mass 389.25810
Monoisotopic Mass 389.07365
InChI InChI=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
InChIKey UBPVOHPZRZIJHM-WOUKDFQISA-N
SMILES CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
5'-Acetylphosphoadenosine KEGG COMPOUND
5'-Acetylphosphoadenosine KEGG COMPOUND
Acetyl adenylate KEGG COMPOUND
Manual Xref Database
C05993 KEGG COMPOUND
View more database links
Registry Number Type Source
13015-87-7 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016