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CHEBI:3110 - biotinyl-5'-AMP

ChEBI IDCHEBI:3110
ChEBI Namebiotinyl-5'-AMP
Stars
Last Modified7 March 2016
DownloadsMolfile
FormulaC20H28N7O9PS
Net Charge0
Average Mass573.525
Monoisotopic Mass573.14068
SMILES[H][C@]12CS[C@@H](CCCCC(=O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1
InChIKeyUTQCSTJVMLODHM-RHCAYAJFSA-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)
biotinyl-5'-AMP (CHEBI:3110) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
biotinyl-5'-AMP (CHEBI:3110) has functional parent biotin (CHEBI:15956)
biotinyl-5'-AMP (CHEBI:3110) has role human metabolite (CHEBI:77746)
biotinyl-5'-AMP (CHEBI:3110) has role mouse metabolite (CHEBI:75771)
biotinyl-5'-AMP (CHEBI:3110) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
biotinyl-5'-AMP (CHEBI:3110) is conjugate acid of biotinyl-5'-AMP(1−) (CHEBI:62414)
Incoming Relation(s)
biotinyl-5'-AMP(1−) (CHEBI:62414) is conjugate base of biotinyl-5'-AMP (CHEBI:3110)
IUPAC Name 
5'-O-[hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine
Synonym  Source
Biotinyl-5'-AMPKEGG COMPOUND
Manual XrefsDatabases
C05921KEGG COMPOUND
Registry NumbersSources
Reaxys:20733000Reaxys