<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">103538</id>
  <title nil="true"/>
  <common-name>Neurokinin beta</common-name>
  <description>Neurokinin beta belongs to the polypeptides, a class of organic polymers within the organic compounds. It has the chemical formula C55H79N13O14S2. With an average molecular weight of 1,210 g/mol, Neurokinin beta is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C55H79N13O14S2</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">2026-04-05T10:43:33Z</created-at>
  <updated-at type="dateTime">2026-04-05T10:43:33Z</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>CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O</moldb-smiles>
  <moldb-formula>C55H79N13O14S2</moldb-formula>
  <moldb-inchi nil="true"/>
  <moldb-inchikey nil="true"/>
  <moldb-average-mass type="decimal">1210.43</moldb-average-mass>
  <moldb-mono-mass type="decimal">1209.531086</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM099431</chemdb-id>
  <dsstox-id>DTXSID4040890</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00067943</susdat-id>
  <iupac nil="true"/>
  <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 Polymers</superklass>
  <klass>Polypeptides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">12168</paper-count>
  <sync-id>CED0002867</sync-id>
  <structure-inchikey>NHXYSAFTNPANFK-HDMCBQFHSA-N</structure-inchikey>
  <structure-fingerprint>40100000004000000201800000000c0000080000000000000400000000002000000000100000000000000000000000200420000000000000000000000000001000000000000000050000000000004000002000000080000000400a009000010000002000010000000000404000100020000000001000000000000000000001008000000040200000800002220000044080001002000100080000000000000000012000000000000000000000080000000000000080080000002000000000002000100200010000000000a00040200000000000000000100000400222000400000000000000000140000041000000000400010200000000000000020088010000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������T���V���€���`������� ������`�������`������ 4��������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������(�������`�������h��������(�������(������ 4��������h��������(�������(������ 4��������`������@(������@h�������@h�������@h�������@h�������@h��������h��������(�������(������ 4��������`������@(������@h�������@h�������@h�������@h�������@h��������h��������(�������(������ 4��������`�������(�������h��������(�������h��������(�������(������ 4��������`������@(������@h�������@8�������@h�������@(�������h��������(�������(������ 4��������`�������`������� ������`�������h��������(�������(������ 4��������`�������`�������(�������h��������(�������`�������`�������`�������(�������h��������(����������������������� ��(�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:41:03Z</structure-indexed-at>
</compound>
