<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">17674</id>
  <title nil="true"/>
  <common-name>Astromicin</common-name>
  <description nil="true"/>
  <cas>55779-06-1</cas>
  <pubchem-id>5284517</pubchem-id>
  <chemical-formula>C17H35N5O6</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">2016-05-22T03:37:17Z</created-at>
  <updated-at type="dateTime">2026-03-31T20:24:57Z</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 nil="true"/>
  <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@@](C)(N)[C@]1([H])CC[C@@]([H])(N)[C@@]([H])(O[C@]2([H])[C@@]([H])(N)[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(N(C)C(=O)CN)[C@@]2([H])O)O1</moldb-smiles>
  <moldb-formula>C17H35N5O6</moldb-formula>
  <moldb-inchi>InChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1</moldb-inchi>
  <moldb-inchikey>BIDUPMYXGFNAEJ-APGVDKLISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">405.496</moldb-average-mass>
  <moldb-mono-mass type="decimal">405.258733867</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4447577</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM016569</chemdb-id>
  <dsstox-id>DTXSID2022624</dsstox-id>
  <toxcast-id>22624</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00011544</susdat-id>
  <iupac>2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-{[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy}-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide</iupac>
</compound>
