<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137862</id>
  <title nil="true"/>
  <common-name>Rezafungin</common-name>
  <description>Rezafungin is an organic compound with the chemical formula C63H85N8O17. Rezafungin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,226 g/mol, Rezafungin is a heavy molecule.

The compound acts as an inhibitor of two protein targets: 1,3-beta-glucan synthase component FKS1 (fksA) and 1,3-beta-glucan synthase component GSC2. In terms of recorded sources, Rezafungin is found in or released from electrical and electronic equipment, specifically antennas.</description>
  <cas>1396640-59-7</cas>
  <pubchem-id>78318119</pubchem-id>
  <chemical-formula>C63H85N8O17</chemical-formula>
  <weight>1226.4</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">2026-04-14T20:44:06Z</created-at>
  <updated-at type="dateTime">2026-08-23T03:13:58Z</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>DB16310</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@](C)(O)[C@]1([H])\N=C(O)/[C@]([H])(C[C@@]([H])(O)[C@@]([H])(OCC[N+](C)(C)C)\N=C(O)/[C@@]2([H])N(C[C@]([H])(C)[C@]2([H])O)C(=O)[C@@]([H])(\N=C(O)/[C@@]([H])(\N=C(O)/[C@]2([H])C[C@@]([H])(O)CN2C1=O)[C@]([H])(O)[C@@]([H])(O)C1=CC=C(O)C=C1)[C@@]([H])(C)O)\N=C(/O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1</moldb-smiles>
  <moldb-formula>C63H85N8O17</moldb-formula>
  <moldb-inchi>InChI=1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,61+/m0/s1</moldb-inchi>
  <moldb-inchikey>LNFCWEXGZIEGJW-TXSVMFMRSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal">1226.411</moldb-average-mass>
  <moldb-mono-mass type="decimal">1225.602719729</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1</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>CHEM133755</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>(2-{[(3S,4E,6S,7E,9S,11R,15S,16E,18S,20R,21R,22E,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,11,17,20,23,25-heptahydroxy-18-[(Z)-[hydroxy({4-[4'-(pentyloxy)-[1,1'-biphenyl]-4-yl]phenyl})methylidene]amino]-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,14-dioxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosa-4,7,16,22-tetraen-21-yl]oxy}ethyl)trimethylazanium</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>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">897</paper-count>
  <sync-id>CED0008936</sync-id>
  <structure-inchikey>LNFCWEXGZIEGJW-TXSVMFMRSA-O</structure-inchikey>
  <structure-fingerprint>5424000000001000000080000220008000000000080000000000000810000000000400100a00002120000200000000200400000200000000000000080000000000000010000000000003000000000800022000000009010040020400104000000040002009000110000040000000020080004002010000000000040000000010002000006000000040000000000000000080000000000000000000104040000400080004c02000000000840008400000000000000808000000010000000000600000020000000000200408000c00000000600000420000000000020000002000000000000101000410004000000001000000000000c800088000200000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������X���^���€�� 4��������`�������`������ 4��������(�������(�������h������� 4��������`������ 4��������`������ 4�������� ������`�������`������ "�������`�������`�������`�������(�������(�������h������� 4��������(�������`������ 4��������`������ 4��������`�������(�������(������ 4��������(�������(�������h������� 4��������(�������(�������h������� 4��������`������ 4��������`�������`�������(�������(�������(������ 4��������`������ 4��������`������@(������@h�������@h�������@(�������h�������@h�������@h������� 4��������`�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(�������(�������`�������`�������`�������`�������`������@h�������@h����������������������*������� ��������	�	
�	���������������������������*������� ������������������������ ��(����� �� !*����"!" !#��#$��$%*���#&amp;%&amp; %'��'(�()�)*�)+�+,�,- -.(�#/�/0�/1�12�13�34h�45h�56h�67 68h�89h��:�:;�:&lt;��=��=&gt;*����?&gt;?$�&gt;@ @Ah�ABh�BCh�CDh�DEh�CF FGh�GHh�HIh�IJh�JKh�IL LMh�MNh�NOh�OP PQ�QR�RS�ST�TU�OVh�VWh�-��93h�E@h�KFh�WLh����,'�B����������	������� !#$%',-�������(',+)�456893�ABCDE@�GHIJKF�MNOVWL����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:50:38Z</structure-indexed-at>
</compound>
