105806 <common-name>9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-phosphonopentofuranosyl}-9H-purin-6-amine</common-name> <description>9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-phosphonopentofuranosyl}-9H-purin-6-amine belongs to the purine ribonucleotides, a subclass of purine nucleotides within the organic compounds. With an average molecular weight of 507.18 g/mol, 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-phosphonopentofuranosyl}-9H-purin-6-amine is a heavy molecule. It has the chemical formula C10H16N5O13P3. This compound is associated with four recorded protein targets. It acts as an inhibitor of Shikimate dehydrogenase (NADP(+)) (aroE), Ribonuclease pancreatic (RNASE1), Dihydrofolate reductase (folA), and Peptide deformylase, mitochondrial (PDF).</description> <cas>4457-01-6</cas> <pubchem-id>165230</pubchem-id> <chemical-formula>C10H16N5O13P3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T12:38:26Z</created-at> <updated-at type="dateTime">2026-04-13T21:32:54Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB02363</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O</moldb-smiles> <moldb-formula>C10H16N5O13P3</moldb-formula> <moldb-inchi>InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1</moldb-inchi> <moldb-inchikey>YPTPYQSAVGGMFN-KQYNXXCUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">507.181</moldb-average-mass> <moldb-mono-mass type="decimal">506.9957455</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM101699</chemdb-id> <dsstox-id>DTXSID20963244</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00070885</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Nucleosides, nucleotides, and analogues</superklass> <klass>Purine nucleotides</klass> <subklass>Purine ribonucleotides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0108437</sync-id> <structure-inchikey>YPTPYQSAVGGMFN-KQYNXXCUSA-N</structure-inchikey> <structure-fingerprint>80000108000000000000000000000000000a0004000000000000000000000000000000000000000002020000000000000100000000002410000000000000000000040000000200000001020800000000100000000000000000000001000010000000000000100000000000000000900000020000800100000180040000000000000010000000000800000001080000000000000000004400000000000000000000000000000080000000000000000085000000100000000000001000000480000000000000000000000000000008000080808000000000000000000201000020000400042000000000040000002000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€�� 4��������`������� ������ ������`�������(������� ������ ������`�������`�������(������� ����� 4�������@(������@h�������@(������@(������@(�������h�������@(������@h�������@(������@(������ 4�������� ������ ������`�������`�������(������ 4��������`�������������������������������� �� ��������� � �h���h���h���h��� ��h���h���h���h������������������������������ h���h�B������������ ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:54Z</structure-indexed-at> </compound>