EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172731 - 2-Chloro-2'-deoxyadenosine-5'-triphosphate

Default Structure
ChEBI IDCHEBI:172731
ChEBI Name2-Chloro-2'-deoxyadenosine-5'-triphosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H15ClN5O12P3
Net Charge0
Average Mass525.628
Monoisotopic Mass524.96186
SMILESNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
InChIInChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1
InChIKeyPZCJNHCKXRBBNN-KVQBGUIXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-Chloro-2'-deoxyadenosine-5'-triphosphate (CHEBI:172731) is a purine deoxyribonucleoside triphosphate (CHEBI:26389)
IUPAC Name 
[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Manual XrefsDatabases
398887ChemSpider
HMDB0060713HMDB