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CHEBI:184748 - ({[({[3,4-dihydroxy-5-(2-imino-6-methylidene-2,3,6,9-tetrahydro-1H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

ChEBI IDCHEBI:184748
ChEBI Name({[({[3,4-dihydroxy-5-(2-imino-6-methylidene-2,3,6,9-tetrahydro-1H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N5O13P3
Net Charge0
Average Mass521.209
Monoisotopic Mass521.01140
SMILESC=C1NC(N)=Nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O
InChIInChI=1S/C11H18N5O13P3/c1-4-6-9(15-11(12)14-4)16(3-13-6)10-8(18)7(17)5(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5,7-8,10,17-18H,1-2H2,(H,22,23)(H,24,25)(H3,12,14,15)(H2,19,20,21)
InChIKeyRDAWPERAONRJLU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
({[({[3,4-dihydroxy-5-(2-imino-6-methylidene-2,3,6,9-tetrahydro-1H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid (CHEBI:184748) is a purine ribonucleoside triphosphate (CHEBI:26398)
IUPAC Name 
[[5-(2-amino-6-methylidene-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Manual XrefsDatabases
35031785ChemSpider
HMDB0060781HMDB