111237 <common-name>(+/-)-Threomine</common-name> <description>(+/-)-Threomine belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C9H12N2O4. The compound has an average molecular weight of 212.21 g/mol.</description> <cas>3689-55-2</cas> <pubchem-id>69745</pubchem-id> <chemical-formula>C9H12N2O4</chemical-formula> <weight>212.2</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">2026-04-05T19:29:44Z</created-at> <updated-at type="dateTime">2026-08-25T10:49:41Z</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>N[C@@H](CO)[C@@H](O)C1=CC=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C9H12N2O4</moldb-formula> <moldb-inchi>InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/s2</moldb-inchi> <moldb-inchikey>OCYJXSUPZMNXEN-MDWBIBFB-N</moldb-inchikey> <moldb-average-mass type="decimal">212.205</moldb-average-mass> <moldb-mono-mass type="decimal">212.0797069</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>194766</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>CHEM107130</chemdb-id> <dsstox-id>DTXSID40862386</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00082911</susdat-id> <iupac>(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">19</paper-count> <sync-id>CED0030304</sync-id> <structure-inchikey>OCYJXSUPZMNXEN-IUCAKERBSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000080000000000000000000000000000000000a100000000000000000000000000000000000000000000000000040000000000020000002000000000000000000000000000000000420000000000000001000000000400040002000010000000200000000000200000000000000000000000000000000000000000000000000000000000000000000001000001000000000000000000020000000000000000000080400080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000420000000004000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>3000000902020080000000010820000000040804052000002000700200000c4002001000800000000001080080000004200020208c30010000443000a0400084110400020004404090100000620000000001805000013240000420000201400c200406004002090000100054300002a00080100101e0047118000002110002404000080c4000080800020008080008111c8012440014820000880000000080004320000000400000001840013c211002c0000189410840100002100840021000000004044020020181020025410380000000000200500005008000080001000000081000010000004000000002200400100010004000220008010052000402</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBwBgAAAAAQIGIDQAAAAB AQQGAGAAAAACAggAYAAAAAEBBiA0AAAAAQEECABgAAAAAQEGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBByAq AAAAAQMECCAqAAAA/wMBCAAoAAAAAwILAAEAAQIAAgMAAQQABAUABAYABgdo DAcIaAwICWgMCQpoDAoLaAwJDCAMDSAMDigCCwZoDEIBAAAABgYLCgkIBxcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:34Z</structure-indexed-at> </compound>