<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">37266</id>
  <title nil="true"/>
  <common-name>Disialyllacto-N-tetraose</common-name>
  <description>Disialyllacto-N-tetraose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C48H79N3O37. With an average molecular weight of 1,290 g/mol, Disialyllacto-N-tetraose is a heavy molecule.</description>
  <cas>61278-38-4</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C48H79N3O37</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">2016-05-26T07:16:39Z</created-at>
  <updated-at type="dateTime">2026-04-06T11:02:52Z</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 nil="true"/>
  <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@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO</moldb-smiles>
  <moldb-formula>C48H79N3O37</moldb-formula>
  <moldb-inchi>InChI=1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,86-37(23)26(64)17(62)6-52)78-11-22-30(68)36(25(51-14(3)59)42(82-22)85-39-28(66)19(8-54)80-43(33(39)71)83-35-21(10-56)79-41(73)32(70)31(35)69)84-44-34(72)40(29(67)20(9-55)81-44)88-48(46(76)77)5-16(61)24(50-13(2)58)38(87-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41?,42-,43-,44-,47+,48-/m0/s1</moldb-inchi>
  <moldb-inchikey>FCIROHDMPFOSFG-LAVSNGQLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1290.1388</moldb-average-mass>
  <moldb-mono-mass type="decimal">1289.439240557</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>CHEM036161</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00121249</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>647.8000000000002</moldb-polar-surface-area>
  <moldb-refractivity>264.8071999999998</moldb-refractivity>
  <moldb-polarizability>122.4807496249737</moldb-polarizability>
  <moldb-rotatable-bond-count>25</moldb-rotatable-bond-count>
  <moldb-acceptor-count>37</moldb-acceptor-count>
  <moldb-donor-count>24</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.564226676563846</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.944508597895246</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>6</moldb-number-of-rings>
  <moldb-alogps-logp>-2.61</moldb-alogps-logp>
  <moldb-alogps-logs>-0.93</moldb-alogps-logs>
  <moldb-alogps-solubility>1.53e+02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer">349</paper-count>
  <sync-id>CED0012595</sync-id>
  <structure-inchikey>FCIROHDMPFOSFG-LAVSNGQLSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000008000000000000000000208000080000000021010040000000000018000000000000004000000140000000000801000000000200020000004000000000000800000002000000000208000010001c1000000000000000000000000010000010000400004008080000000020000000000000000000800500000000048020400000000000080800080000000000000000008200000400000000000000010000000000000040000001000400000000000400120000008000000000000000000008002000000000000000000000000000010000000180000000002000001000000000002000000000460010002000000400400000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������X���]���€�� 4�������� ����� $�������`������ 4��������`������ 4��������h��������(�������`�������(������� ������`������ 4�������� ����� 4�������� ����� 4������� 4��������`������ 4��������`�������`������� ����� 4�������� ����� 4������� 4��������`������ 4��������`�������`�������`������� ����� 4��������`�������`������ 4��������`������ 4��������h��������(�������`�������(������ 4�������� ����� 4�������� ����� 4��������`�������`������ 4��������`������ 4�������� ����� $�������`������ 4��������`������ 4��������h��������(�������`�������(������ 4�������� ����� 4��������`������ 4��������`�������`�������`�������(�������h��������(������ 4��������`������ 4��������`�������(�������h��������(������ 4��������`������ 4��������`�������`�������`����������������������������� �	��
(��������������������������������������������������������������� ��!�!"�"#�#$��%�%&amp;��'�'(�() )*�)+(�',�,-�-.�./�/0�01�12�03�34�35�56�67�78�89�9:�9;�;&lt;�&lt;= =&gt;�=?(�;@�@A�@B�BC�BD�DE�DF�FG�7H�HI HJ(�5K�KL�,M�MN��O�OP OQ(��R�RS�RT�TU�TV�VW����M�%��K.�"��A7�B��������������',M�����%�����!"��/035K.�89;@A7����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:11:13Z</structure-indexed-at>
</compound>
