<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137126</id>
  <title nil="true"/>
  <common-name>Dihematoporphyrin ether</common-name>
  <description>Dihematoporphyrin ether is a chemical compound with the formula C68H74N8O11. With an average molecular weight of 1,179 g/mol, Dihematoporphyrin ether is a heavy molecule.</description>
  <cas>97067-70-4</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C68H74N8O11</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">2026-04-14T20:14:57Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:50:32Z</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>DB15351</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>CC(O)C1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C(C)OC(C)C1=C2NC(\C=C4/N=C(/C=C5\N\C(=C/C6=N/C(=C\2)/C(C)=C6C(C)O)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)=C1C)/C(CCC(O)=O)=C3C</moldb-smiles>
  <moldb-formula>C68H74N8O11</moldb-formula>
  <moldb-inchi>InChI=1S/C68H74N8O11/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50/h21-28,37-40,71-73,75,77-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-</moldb-inchi>
  <moldb-inchikey>VAYJWFGRGMQINH-STKOUIOXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1179.385</moldb-average-mass>
  <moldb-mono-mass type="decimal">1178.547705235</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.13</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>CHEM133019</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>3-[15-(1-{1-[10,14-bis(2-carboxyethyl)-19-(1-hydroxyethyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethoxy}ethyl)-20-(2-carboxyethyl)-10-(1-hydroxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoic 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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">207</paper-count>
  <sync-id>CED0015108</sync-id>
  <structure-inchikey>VAYJWFGRGMQINH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000104000000000000000000200020900000080000001000000000000000000000002004000000000000000000000001000004000000000000200020010000000000000020000000004100000000000000008000000002010000000000204000100000000100000000001000000800000000000000000040000000040000300000000000000000000000000000001100400000010000000000008000800001080000000000000800000002000000000000000000000008000000000000002000000000000000020000002002404000000000000a40000000000001000040000020000400000000000000000000000000002008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������W���`���€���`�������`�������`������@(������@(�������`������@(������@h�������@(������@(������@(������@h�������@(������@(�������`�������`�������(�������h��������(������@(�������`������@(������@8�������@h�������@(������@(������@(������@h�������@(������@8��������(�������`�������(�������`�������`������� ������`�������`������@(������@(������@8�������@(������@h�������@(������@(������@(������@h�������@(������@8�������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������`�������`������@(�������`������@(�������`�������`�������(�������h��������(�������(�������`�������`�������(�������h��������(�������(�������`������@(�������`�������(�������`�������`�������(�������h��������(�������(�������`�����������������h������l����h���l���	h�	
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�������� ���('&amp;M)�*+,-./0123456'()�,+KE-�0/?=1�43975����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:50:19Z</structure-indexed-at>
</compound>
