<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">23349</id>
  <title nil="true"/>
  <common-name>Micafungin</common-name>
  <description>Micafungin is a compound with the chemical formula C56H71N9O23S. Micafungin 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 1,270 g/mol, Micafungin is a heavy molecule.

The compound is found in or released from two recorded sources: antennas in electrical and electronic equipment and antimycotics in healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is intravenous. Micafungin acts upon two recorded protein targets, serving as an inhibitor or modulator of 1,3-beta-glucan synthase component GSC2 and 1,3-beta-glucan synthase component FKS1 (fksA).</description>
  <cas>235114-32-6</cas>
  <pubchem-id>3081921</pubchem-id>
  <chemical-formula>C56H71N9O23S</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">2016-05-25T18:25:21Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:58:10Z</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>DB01141</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>CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O</moldb-smiles>
  <moldb-formula>C56H71N9O23S</moldb-formula>
  <moldb-inchi>InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1</moldb-inchi>
  <moldb-inchikey>PIEUQSKUWLMALL-YABMTYFHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1270.274</moldb-average-mass>
  <moldb-mono-mass type="decimal">1269.438350313</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-6.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2339421</chemspider-id>
  <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>CHEM022244</chemdb-id>
  <dsstox-id>DTXSID90873341</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005374</susdat-id>
  <iupac>{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzamido)-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid</iupac>
  <moldb-polar-surface-area>510.1400000000001</moldb-polar-surface-area>
  <moldb-refractivity>303.07099999999997</moldb-refractivity>
  <moldb-polarizability>128.21954434215644</moldb-polarizability>
  <moldb-rotatable-bond-count>18</moldb-rotatable-bond-count>
  <moldb-acceptor-count>22</moldb-acceptor-count>
  <moldb-donor-count>16</moldb-donor-count>
  <moldb-pka-strongest-acidic>-2.188257305264612</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.558083874308431</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>0.67</moldb-alogps-logp>
  <moldb-alogps-logs>-3.77</moldb-alogps-logs>
  <moldb-alogps-solubility>2.18e-01 g/l</moldb-alogps-solubility>
  <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">9244</paper-count>
  <sync-id>CED0003277</sync-id>
  <structure-inchikey>PIEUQSKUWLMALL-YABMTYFHSA-N</structure-inchikey>
  <structure-fingerprint>440411000000000000018000020000c008080000000002000000004810000080000000300204002020000002000000a010001000000000000000000002080000000000000000000040038002000400000020800010090100000200001000000000000020090008100000440040100000800000020100000001101c00000000120020400040000000000000200000000080809000000000000000000040400000082800048020000000800400884000000000000008080000180100002008004003c00000000000002100080108000000400000004000000000000240000400002000000001000004100040000020010400000000018030080000800004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������Y���_���€���`�������`�������`�������`�������`�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@(������@(������@(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������h������� 4��������`������ 4��������`������ 4��������`�������h��������(�������(������ 4������� 4��������`������ 4��������`�������`�������(�������(�������(������ 4��������h��������(�������(������ 4��������h��������(�������(������ 4��������`������ 4��������`�������`�������(�������(�������(������ 4��������h��������(�������(������ 4��������`�������`������ 4��������`������ 4��������`������@(������@h�������@(�������(������� ������`�������(�������(������@(�������h�������@h�������@h������� 4��������`�������`�������(�������h��������(����������������������� ��h���h��	h�	
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�h�	� �h��h���h���h��� ��h���h���h���h���h��� ��(��� ������������������� � ! !"(�!#�#$�$%�$&amp;�&amp;'�&amp;(�()�)* *+(�*,�,-�-. ./(�.0�01�12 23(�24�45�56�67�68�89�9: :;(�:&lt;�&lt;=�=&gt; &gt;?(�&lt;@�@A�@B�0C�CD�CE�EF�EG�GHh�HIh�IJ JK�KL�KM��KN��IOh�OP OQh�QRh�,S�ST�SU�UV�VW VX(���h���h���h�&gt;��RGh�)#�94�B�������
	�����������������&gt;=&lt;:94210.-,*)#! ���$#)(&amp;�54986�HIOQRG����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:09:14Z</structure-indexed-at>
</compound>
