70359 <common-name>Polyoxin B</common-name> <description>Polyoxin B belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C17H25N5O13. With an average molecular weight of 507.41 g/mol, Polyoxin B is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>121232782</pubchem-id> <chemical-formula>C17H25N5O13</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">2026-04-03T16:43:52Z</created-at> <updated-at type="dateTime">2026-04-03T16:43:52Z</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>N[C@@H]([C@H](O)[C@@H](O)COC(N)=O)C(=O)N[C@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(CO)C(=O)NC1=O)C(O)=O</moldb-smiles> <moldb-formula>C17H25N5O13</moldb-formula> <moldb-inchi>InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9+,10+,11+,14+/m0/s1</moldb-inchi> <moldb-inchikey>YFZNSPMAOIVQRP-YAHZMLKDSA-N</moldb-inchikey> <moldb-average-mass type="decimal">507.409</moldb-average-mass> <moldb-mono-mass type="decimal">507.144886</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>157773</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>CHEM066252</chemdb-id> <dsstox-id>DTXSID3058329</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00026318</susdat-id> <iupac>(2R)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid</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">566</paper-count> <sync-id>CED0010595</sync-id> <structure-inchikey>YFZNSPMAOIVQRP-YAHZMLKDSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800080000600000810000000000000000002100000000200000000000028000000000000000004000000000000000200800000000000000000000001000440000000010000000020800000000100400001000002020000002000014000040400000000000080000000000100000000000000000000100000000001001000001000210400008080001080000000000000000000400000000000000000000004000020080000400000000000000004020100000100000000000000040000000000000000000000000000000000000200004000000000000000000000000800000040000020000440000000000000000000000100002008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������#���$���€���`������ 4������� 4��������`������ 4��������`�������`�������(�������(�������h��������(�������(�������(�������h������� 4������� 4�������� ����� 4������� 4��������`������ 4��������`������@(������@h�������@(�������`�������`������@(�������(������@8�������@(�������(�������(�������h��������(����������������������������� � � (������(�� ����������������������������h���h���������h���(���h���h���(�� � ! "(������h�B���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:56Z</structure-indexed-at> </compound>