<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">41756</id>
  <title nil="true"/>
  <common-name>(Mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C120H200N2O37P2</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">2016-05-27T00:15:31Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:22:18Z</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>OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</moldb-smiles>
  <moldb-formula>C120H200N2O37P2</moldb-formula>
  <moldb-inchi>InChI=1S/C120H200N2O37P2/c1-73(2)35-20-36-74(3)37-21-38-75(4)39-22-40-76(5)41-23-42-77(6)43-24-44-78(7)45-25-46-79(8)47-26-48-80(9)49-27-50-81(10)51-28-52-82(11)53-29-54-83(12)55-30-56-84(13)57-31-58-85(14)59-32-60-86(15)61-33-62-87(16)63-34-64-88(17)65-66-147-160(142,143)159-161(144,145)158-116-98(122-90(19)129)104(135)111(95(71-127)152-116)154-115-97(121-89(18)128)103(134)112(94(70-126)151-115)155-119-110(141)113(102(133)96(153-119)72-146-117-108(139)105(136)99(130)91(67-123)148-117)156-120-114(107(138)101(132)93(69-125)150-120)157-118-109(140)106(137)100(131)92(68-124)149-118/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,88,91-120,123-127,130-141H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-72H2,1-19H3,(H,121,128)(H,122,129)(H,142,143)(H,144,145)/b74-37+,75-39+,76-41+,77-43+,78-45+,79-47+,80-49+,81-51+,82-53+,83-55+,84-57+,85-59+,86-61+,87-63+/t88?,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111-,112-,113+,114+,115+,116+,117+,118-,119+,120-/m1/s1</moldb-inchi>
  <moldb-inchikey>ZPOXKQAYDHFPSN-ZPURKIBVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">2324.8107</moldb-average-mass>
  <moldb-mono-mass type="decimal">2323.330518448</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>CHEM040651</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,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid</iupac>
</compound>
