<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">140929</id>
  <title nil="true"/>
  <common-name>Delmitide</common-name>
  <description>Delmitide belongs to the polypeptides, a class of organic polymers within the organic compounds. It has the chemical formula C59H105N17O11. With an average molecular weight of 1,229 g/mol, Delmitide is a heavy molecule.</description>
  <cas>287096-87-1</cas>
  <pubchem-id>219021</pubchem-id>
  <chemical-formula>C59H105N17O11</chemical-formula>
  <weight>1228.6</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">2026-04-15T17:06:25Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:38:10Z</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>DB20009</drugbank-id>
  <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>CCCC[C@@H](NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCC)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC1=CC=C(O)C=C1)C(N)=O</moldb-smiles>
  <moldb-formula>C59H105N17O11</moldb-formula>
  <moldb-inchi>InChI=1S/C59H105N17O11/c1-7-13-22-40(51(81)68-36-48(78)69-47(49(61)79)35-37-29-31-38(77)32-30-37)71-53(83)42(24-15-9-3)73-55(85)44(26-17-11-5)75-57(87)46(28-20-34-67-59(64)65)76-56(86)45(27-18-12-6)74-54(84)43(25-16-10-4)72-52(82)41(23-14-8-2)70-50(80)39(60)21-19-33-66-58(62)63/h29-32,39-47,77H,7-28,33-36,60H2,1-6H3,(H2,61,79)(H,68,81)(H,69,78)(H,70,80)(H,71,83)(H,72,82)(H,73,85)(H,74,84)(H,75,87)(H,76,86)(H4,62,63,66)(H4,64,65,67)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m1/s1</moldb-inchi>
  <moldb-inchikey>SFGFYNXPJMOUHK-PKAFTLKUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1228.597</moldb-average-mass>
  <moldb-mono-mass type="decimal">1227.817947269</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <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>CHEM136822</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide</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 Polymers</superklass>
  <klass>Polypeptides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">19</paper-count>
  <sync-id>CED0030299</sync-id>
  <structure-inchikey>SFGFYNXPJMOUHK-PKAFTLKUSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000001800000000400000800000004000004000000000000000000000002000200000000000000000000000008000000000000000000100000000000000000000400010000000100000020001000000000080000009040000000002020010000000000404000100022000000000000000000000100000000200000000040000000000082000000000080001000000000080000000000000000000000004000800000000000080040000000000080100000000000000000000000000000010000002000200000200000000000000000100000000220000020000000000000000040000048000000010400000000000000000000020080000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������W���W���€���`�������`�������`�������`������ 4��������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������(������ 4��������`�������`�������`�������h��������(�������h��������h��������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������(������ 4��������`�������`�������`�������`�������h��������(�������h��������h��������(�������(�������h��������`�������(�������(�������h������� 4��������`������@(������@h�������@h�������@(�������h�������@h�������@h��������(�������h��������(����������������������� ��(�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:51:39Z</structure-indexed-at>
</compound>
