105039 <common-name>2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone</common-name> <description>2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone is an organic compound with the formula C8H13NO6 and an average molecular weight of 219.19 g/mol. 2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is associated with two recorded protein targets: Chitinase B (chiB) and Beta-hexosaminidase subunit beta (HEXB).</description> <cas>19026-22-3</cas> <pubchem-id>87901</pubchem-id> <chemical-formula>C8H13NO6</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">2026-04-05T12:02:03Z</created-at> <updated-at type="dateTime">2026-05-14T17:46:30Z</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>DB02813</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>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O</moldb-smiles> <moldb-formula>C8H13NO6</moldb-formula> <moldb-inchi>InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1</moldb-inchi> <moldb-inchikey>NELQYZRSPDCGRQ-DBRKOABJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.1919</moldb-average-mass> <moldb-mono-mass type="decimal">219.0742871</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3</logp> <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>CHEM100932</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00069978</susdat-id> <iupac>N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide</iupac> <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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">13</paper-count> <sync-id>CED0033117</sync-id> <structure-inchikey>NELQYZRSPDCGRQ-DBRKOABJSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000002004004000000000000000020000000000000000010000000000000008000000000000000001000000000000000000000200000000020800000000000000000000002000000000000010000000000000000000000000000000004000000000000000000500000000040000000000000000000000080000000000000000000000000400000000000000000000000000000080000000000000000900000000100000008000000000000000000000000000000000000004000000000000010000000080000000400000000000800000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h������� 4������� 4��������`������ 4��������`������ 4��������`�������`�������(�������(�������(�����������(��� ���������������� � � �� ��� �(� ��B������ � ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:45Z</structure-indexed-at> </compound>