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<compound>
  <id type="integer">124721</id>
  <title nil="true"/>
  <common-name>[D-Asp3,Ser7]MC-HtyR</common-name>
  <description>[D-Asp3,Ser7]MC-HtyR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 1,049 g/mol, [D-Asp3,Ser7]MC-HtyR is a heavy molecule. It has the chemical formula C51H72N10O14 and is classified as an organic acid and derivative.

This compound is found in or released from 13 recorded sources across several sectors. Within the Electrical &amp; Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in Textiles, leather &amp; furnishings, specifically in synthetic textiles as well as carpets and rugs. In the Food, food processing &amp; cookware sector, it is linked to food packaging, while in the Healthcare, pharmaceuticals &amp; veterinary products sector, it is associated with medical devices. Additionally, the compound is found in lubricants used in both the Energy, oil &amp; gas sector and the Industrial manufacturing &amp; chemical processing sector, as well as one other sector. Recorded routes of exposure for this compound include inhalation, oral, and touch.</description>
  <cas nil="true"/>
  <pubchem-id>146684731</pubchem-id>
  <chemical-formula>C51H72N10O14</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">2026-04-06T08:35:55Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:46:51Z</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@@](CC1=CC=CC=C1)(OC)[C@@H](C)\C=C(/C)\C=C\[C@]1([H])NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CCC2=CC=C(O)C=C2)NC(=O)[C@@H](C)NC(=O)[C@]([H])(CO)NC(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O</moldb-smiles>
  <moldb-formula>C51H72N10O14</moldb-formula>
  <moldb-inchi>InChI=1S/C51H72N10O14/c1-28(24-29(2)41(75-5)25-33-10-7-6-8-11-33)13-19-35-30(3)44(66)60-38(49(71)72)21-22-42(64)57-40(27-62)48(70)55-31(4)45(67)59-37(20-16-32-14-17-34(63)18-15-32)47(69)61-39(50(73)74)26-43(65)56-36(46(68)58-35)12-9-23-54-51(52)53/h6-8,10-11,13-15,17-19,24,29-31,35-41,62-63H,9,12,16,20-23,25-27H2,1-5H3,(H,55,70)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,52,53,54)/b19-13+,28-24+/t29-,30-,31+,35-,36-,37-,38+,39+,40-,41-/m0/s1</moldb-inchi>
  <moldb-inchikey>OAOGBTSKBZVXOB-FQYRTJBPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1049.193</moldb-average-mass>
  <moldb-mono-mass type="decimal">1048.522947</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM120614</chemdb-id>
  <dsstox-id>DTXSID901046975</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114582</susdat-id>
  <iupac>(2S,5R,8S,11R,15S,18S,19S,22R)-15-(3-guanidinopropyl)-2-(hydroxymethyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic 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>Peptidomimetics</klass>
  <subklass>Hybrid peptides</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0059351</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:47:23Z</structure-indexed-at>
</compound>
