365358 <common-name>[(1s)-1-carboxy-2-(2-hydroxysulfanyl-1h-imidazol-5-yl)ethyl]-trimethylazanium</common-name> <description>[(1s)-1-carboxy-2-(2-hydroxysulfanyl-1h-imidazol-5-yl)ethyl]-trimethylazanium is a compound with the formula C9H16N3O3S+. It has an average molecular weight of 246.31 g/mol.</description> <cas nil="true"/> <pubchem-id>122706276</pubchem-id> <chemical-formula>C9H16N3O3S+</chemical-formula> <weight>246.31</weight> <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">2026-09-01T15:54:23Z</created-at> <updated-at type="dateTime">2026-09-01T15:54:23Z</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>C[N+](C)(C)C(CC1=CN=C(N1)SO)C(=O)O</moldb-smiles> <moldb-formula>C9H16N3O3S+</moldb-formula> <moldb-inchi>InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1</moldb-inchi> <moldb-inchikey>ZLPHHLCGSBYNCO-ZETCQYMHSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">246.0912376</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0</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>CHEM361251</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[(1s)-1-carboxy-2-(2-hydroxysulfanyl-1h-imidazol-5-yl)ethyl]-trimethylazanium</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" nil="true"/> <sync-id>CED0315314</sync-id> <structure-inchikey>ZLPHHLCGSBYNCO-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000000000000001800000000800040000000000000000000000000000000000000000000000000000000000002004000002000000000000000000000000000000000000000000000000000008000020000000000000000000000000000000000000010000000800000020000008000000000000000000200010000000000000000040000000000000200000000000000000000000000000001000000000000000020000000000000000080000000000000000080000000000000000000100000000000000000000001000000000000000000000000000004000000000000000000000008800000040000000200400010004000000000002040000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`������@(������@h�������@(������@(������@8�������� ������`�������(�������(�������h���������������������������h���h�� h� h� ������ � �(� � �h�B�������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:27Z</structure-indexed-at> </compound>