<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277348</id>
  <title nil="true"/>
  <common-name>(2s,4s,5r,6r)-5-[[13-[3-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-2-[[(2s)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>156621409</pubchem-id>
  <chemical-formula>C109H188N16O22S</chemical-formula>
  <weight>2106.8</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">2026-08-26T17:10:14Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:10:14Z</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>CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCC(=O)N1CC2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=N3)C(=O)NC5C(CC(OC5C(C(CO)O)O)(C(=O)O)O)O</moldb-smiles>
  <moldb-formula>C109H188N16O22S</moldb-formula>
  <moldb-inchi>InChI=1S/C109H188N16O22S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-63-92(130)115-88(78-148-77-80(146-95(133)65-42-39-36-33-30-27-24-21-18-15-12-9-6-3)76-145-94(132)64-41-38-35-32-29-26-23-20-17-14-11-8-5-2)106(140)120-87(74-126)105(139)119-86(61-50-54-70-113)104(138)118-85(60-49-53-69-112)103(137)117-84(59-48-52-68-111)102(136)116-83(58-47-51-67-110)101(135)114-71-66-93(131)124-73-79-55-43-44-56-81(79)96-98(82-57-45-46-62-89(82)124)125(123-122-96)108(143)121-97-90(128)72-109(144,107(141)142)147-100(97)99(134)91(129)75-127/h43-46,55-57,62,80,83-88,90-91,96-100,126-129,134,144H,4-42,47-54,58-61,63-78,110-113H2,1-3H3,(H,114,135)(H,115,130)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,143)(H,141,142)/t80?,83-,84-,85-,86-,87-,88-,90+,91-,96?,97-,98?,99-,100-,109+/m1/s1</moldb-inchi>
  <moldb-inchikey>HACHPVCYFLSKSB-UMJDSZQGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">2105.380483</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>14.4</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>CHEM273241</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>(2s,4s,5r,6r)-5-[[13-[3-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-2-[[(2s)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic 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" nil="true"/>
  <sync-id nil="true"/>
</compound>
