<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4334</id>
  <title>T3D4280</title>
  <common-name>Succinyladenosine</common-name>
  <description>Succinyladenosine (SAdo) is one of the dephosphorylated enzyme substrate that accumulates in body fluids of patients with adenylosuccinate lyase (ADSL) deficiency, the other being 5-amino-4-imidazole-N-succinocarboxamide riboside (SAICAr). ADSL is an inherited metabolic disease characterized by various degrees of psychomotor retardation.  The severity of the clinical presentation correlates with a low S-Ado/SAICAr ratio in body fluids.  Normally Succinyladenosine is not found in blood or CSF but may be detected in trace amounts in urine. (OMIM 103050). (A3374, A3375).</description>
  <cas>4542-23-8</cas>
  <pubchem-id>20849086</pubchem-id>
  <chemical-formula>C14H17N5O8</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>233 - 238°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T06:13:18Z</created-at>
  <updated-at type="dateTime">2026-04-06T13:22:15Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>71169</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12</moldb-smiles>
  <moldb-formula>C14H17N5O8</moldb-formula>
  <moldb-inchi>InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1</moldb-inchi>
  <moldb-inchikey>VKGZCEJTCKHMRL-VWJPMABRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">383.3135</moldb-average-mass>
  <moldb-mono-mass type="decimal">383.107712545</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB00912</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>17216022</chemspider-id>
  <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>Buck, Ildiko; Reese, Colin B.  An unambiguous synthesis of adenylosuccinic acid and its constituent nucleoside.    Journal of the Chemical Society, Perkin Transactions 1:  Organic and Bio-Organic Chemistry (1972-1999)  (1990),   (11),  2937-42.  </synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003240</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00126007</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>200.14999999999998</moldb-polar-surface-area>
  <moldb-refractivity>85.30290000000001</moldb-refractivity>
  <moldb-polarizability>34.83173121059809</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>12</moldb-acceptor-count>
  <moldb-donor-count>6</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.1388685314254663</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>4.584629192365606</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>-1.32</moldb-alogps-logp>
  <moldb-alogps-logs>-1.70</moldb-alogps-logs>
  <moldb-alogps-solubility>7.62e+00 g/l</moldb-alogps-solubility>
</compound>
