<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">130364</id>
  <title nil="true"/>
  <common-name>Cilofungin</common-name>
  <description>Cilofungin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C49H71N7O17. With an average molecular weight of 1,030 g/mol, Cilofungin is a heavy molecule.</description>
  <cas>79404-91-4</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C49H71N7O17</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">2026-04-06T14:05:27Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:32:49Z</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>DB20369</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>[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)NC(=O)C1=CC=C(OCCCCCCCC)C=C1)[C@@H](C)O</moldb-smiles>
  <moldb-formula>C49H71N7O17</moldb-formula>
  <moldb-inchi>InChI=1S/C49H71N7O17/c1-5-6-7-8-9-10-19-73-31-17-13-28(14-18-31)42(65)50-32-21-34(61)45(68)54-47(70)38-39(62)24(2)22-56(38)49(72)36(26(4)58)52-46(69)37(41(64)40(63)27-11-15-29(59)16-12-27)53-44(67)33-20-30(60)23-55(33)48(71)35(25(3)57)51-43(32)66/h11-18,24-26,30,32-41,45,57-64,68H,5-10,19-23H2,1-4H3,(H,50,65)(H,51,66)(H,52,69)(H,53,67)(H,54,70)/t24-,25?,26?,30+,32?,33?,34+,35?,36?,37?,38?,39-,40-,41-,45+/m0/s1</moldb-inchi>
  <moldb-inchikey>ZKZKCEAHVFVZDJ-ANCGSJICSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1030.139</moldb-average-mass>
  <moldb-mono-mass type="decimal">1029.490644</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>CHEM126257</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00127238</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 acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">238</paper-count>
  <sync-id>CED0014406</sync-id>
  <structure-inchikey>ZKZKCEAHVFVZDJ-MTUMARHDSA-N</structure-inchikey>
  <structure-fingerprint>4404100000000000000080000200008008000000000002000000000810000000000000300204002020000000000000001000000000000000000000000200000000000000000000000003000000040000002000000009010000020000104000000000002009000810000044000000020000000002010000000000140000000012002000004000000000000020000001008000000000000000000000004040000008080004c020000000800400084000000000000008080000000100002008004001400000000000002000080008000000400000004000000000000200000020002000000001000004100040000000010400000000018000080000800004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABJAAAATQAAAIABBiA0AAAAAgEEBgBgAAAA
AgIGIDQAAAABAQQIAGAAAAABAQYAYAAAAAICBwAoAAAAAwMGACgAAAADBAgA
KAAAAAMCBiA0AAAAAQEEBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgYgNAAA
AAIBBAYAYAAAAAICBiA0AAAAAQEECABgAAAAAQEGIDQAAAABAQQIAGAAAAAB
AQcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIGIDQAAAACAQQGIDQAAAABAQQI
AGAAAAABAQYgNAAAAAEBBAYAYAAAAAEDBgBgAAAAAgIHACgAAAADAwYAKAAA
AAMECAAoAAAAAwIGIDQAAAABAQQHAGgAAAADAgEGACgAAAADBAgAKAAAAAMC
BiA0AAAAAQEEBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgYgNAAAAAIBBAgA
YAAAAAEBBiA0AAAAAQEECABgAAAAAQEGQCgAAAADBAZAaAAAAAMDAQZAaAAA
AAMDAQZAKAAAAAMECABoAAAAAwEBBkBoAAAAAwMBBkBoAAAAAwMBBiA0AAAA
AQEEBgBgAAAAAQMIAGAAAAABAQcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIG
QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMECAAoAAAAAwIGAGAA
AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG
AGAAAAACAgYAYAAAAAEDBkBoAAAAAwMBBkBoAAAAAwMBBiA0AAAAAQEEBgBg
AAAAAQMIAGAAAAABAQsAAQABAgACAwACBAAEBQAFBiAGBygCBggACAkACQog
CgsoAgoMAAwNAA0OAA4PAA4QABARABASABITIBMUKAITFQAVFgAWFwAWGAAY
GQAYGgAaGwAbHCAcHSgCHB4AHh8AHyAgICEoAiAiACIjACMkICQlKAIiJgAm
JwAmKAAoKQAoKgAqK2gMKyxoDCwtaAwtLiAtL2gMLzBoDB4xADEyADEzAAw0
ADQ1IDU2KAI1NyA3OGgMODloDDk6aAw6OyA7PAA8PQA9PgA+PwA/QABAQQBB
QgBCQwA6RGgMREVoDAhGAEZHAEZIAAUAABsVADAqaAxFN2gMJAAAQgUAAAAF
AQAFBAIVBgUAJCMiIB8eHBsVExIQDg0MCgkIBRYVGxoYBissLS8wKgY4OTpE
RTcXBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:48:48Z</structure-indexed-at>
</compound>
