46175 <common-name>EMCA</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H28N4O7S2</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">2016-06-03T12:48:39Z</created-at> <updated-at type="dateTime">2026-03-27T00:33:41Z</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@](N)(CCC(O)=O)C(O)=N[C@@]([H])(CCSC)C(O)=N[C@@]([H])(CS)C(O)=N[C@@]([H])(C)C(O)=O</moldb-smiles> <moldb-formula>C16H28N4O7S2</moldb-formula> <moldb-inchi>InChI=1S/C16H28N4O7S2/c1-8(16(26)27)18-15(25)11(7-28)20-14(24)10(5-6-29-2)19-13(23)9(17)3-4-12(21)22/h8-11,28H,3-7,17H2,1-2H3,(H,18,25)(H,19,23)(H,20,24)(H,21,22)(H,26,27)/t8-,9-,10-,11-/m0/s1</moldb-inchi> <moldb-inchikey>KOSBTFBVFRORNT-NAKRPEOUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">452.54</moldb-average-mass> <moldb-mono-mass type="decimal">452.139941606</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16620850</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>CHEM045070</chemdb-id> <dsstox-id>DTXSID10876051</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007164</stoff-ident-id> <susdat-id>NS00006066</susdat-id> <iupac>(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxyethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl]-C-hydroxycarbonimidoyl}-3-(methylsulfanyl)propyl]-C-hydroxycarbonimidoyl}butanoic acid</iupac> </compound>