@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix ns0: <http://rdf-vocabulary.ddialliance.org/xkos#> .

<http://rdf-vocabulary.ddialliance.org/xkos#monoisotopicmass> rdfs:label "جرم تک‌ایزوتوپی"@fa, "monoisotopicmass"@en .
<http://rdf-vocabulary.ddialliance.org/xkos#formula> rdfs:label "فرمول"@fa, "formula"@en .
<http://rdf-vocabulary.ddialliance.org/xkos#smiles> rdfs:label "اسمایلٓ"@fa, "smiles"@en .
<http://rdf-vocabulary.ddialliance.org/xkos#subset> rdfs:label "زیرمجموعه"@fa, "subset"@en .
<http://rdf-vocabulary.ddialliance.org/xkos#inchikey> rdfs:label "اینچی‌کی"@fa, "inchikey"@en .
<http://www.irandoc.acir/onto/irandoc/CHEBI:223858>
  skos:broader <http://www.irandoc.acir/onto/irandoc/CHEBI:23449> ;
  ns0:inchikey "QKTORMYLLAWGLE-BOZMKJNLSA-N" ;
  ns0:formula "C53H91N15O15" ;
  ns0:charge "0" ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  ns0:monoisotopicmass "1177.68191" ;
  skos:prefLabel "polymyxin s1"@en, "پلی میکسین S1"@fa ;
  ns0:inchi "InChI=1S/C53H91N15O15/c1-6-28(2)12-10-11-15-40(73)59-33(16-21-54)47(77)67-43(31(5)72)53(83)65-39(27-69)50(80)62-37-20-25-58-51(81)41(29(3)70)66-48(78)36(19-24-57)61-44(74)35(18-23-56)63-52(82)42(30(4)71)68-49(79)38(26-32-13-8-7-9-14-32)64-45(75)34(17-22-55)60-46(37)76/h7-9,13-14,28-31,33-39,41-43,69-72H,6,10-12,15-27,54-57H2,1-5H3,(H,58,81)(H,59,73)(H,60,76)(H,61,74)(H,62,80)(H,63,82)(H,64,75)(H,65,83)(H,66,78)(H,67,77)(H,68,79)/t28-,29-,30+,31+,33+,34+,35+,36+,37-,38-,39+,41+,42-,43-/m0/s1" ;
  ns0:synonym_EXACT "(6S)-N-[(2R)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2R)-3-hydroxy-1-oxo-1-[[(3R,6R,9R,12S,15S,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1S)-1-hydroxyethyl]-12-[(1R)-1-hydroxyethyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide" ;
  ns0:subset "2_STAR" ;
  ns0:mass "1178.401" ;
  ns0:smiles "O=C1N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](O)C)=O)CC2=CC=CC=C2)=O)CCN)=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC[C@H](CC)C)CCN)[C@H](O)C)CO)[C@@H](O)C)CCN)CCN" .

ns0:charge rdfs:label "charge"@en, "بار"@fa .
ns0:inchi rdfs:label "اینچی"@fa, "inchi"@en .
ns0:synonym_EXACT rdfs:label "مترادف دقیق"@fa, "synonym EXACT"@en .
ns0:mass rdfs:label "جرم"@fa, "mass"@en .
<http://www.irandoc.acir/onto/irandoc/CHEBI:23449>
  skos:prefLabel "پپتید حلقوی"@fa, "cyclic peptide"@en ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  skos:narrower <http://www.irandoc.acir/onto/irandoc/CHEBI:223858> .