@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://www.irandoc.acir/onto/irandoc/CHEBI:38019>
  skos:prefLabel "نمک سولفات پپتید"@fa, "peptide sulfate salt"@en ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  skos:narrower <http://www.irandoc.acir/onto/irandoc/CHEBI:59674> .

<http://rdf-vocabulary.ddialliance.org/xkos#synonym_RELATED> rdfs:label "مترادف مرتبط"@fa, "synonym RELATED"@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:59674>
  skos:broader <http://www.irandoc.acir/onto/irandoc/CHEBI:38019> ;
  skos:prefLabel "colistin a sulfate"@en, "کولیستین سولفات"@fa ;
  ns0:mass "2829.31300" ;
  ns0:inchikey "RIVWZNNHCTXSOL-JCRURNCPSA-N" ;
  ns0:charge "0" ;
  ns0:smiles "[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.CC[C@@H](C)CCCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC[NH3+])C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CC[NH3+])NC(=O)[C@H](CC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC[NH3+])NC1=O)[C@@H](C)O.CC[C@@H](C)CCCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC[NH3+])C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CC[NH3+])NC(=O)[C@H](CC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC[NH3+])NC1=O)[C@@H](C)O" ;
  ns0:formula "C106H210N32O46S5" ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  ns0:synonym_RELATED "polymyxin E1 sulfate", "colistin A sulphate" ;
  ns0:synonym_EXACT "(3S)-3-{[(2S,3R)-2-{[(2S)-4-ammonio-2-{[(6R)-6-methyloctanoyl]amino}butanoyl]amino}-3-hydroxybutanoyl]amino}-4-oxo-4-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-ammonioethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}butan-1-aminium sulfate" ;
  ns0:subset "3_STAR" ;
  ns0:inchi "InChI=1S/2C53H100N16O13.5H2O4S/c2*1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76;5*1-5(2,3)4/h2*28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77);5*(H2,1,2,3,4)/t2*30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+;;;;;/m11...../s1" ;
  ns0:monoisotopicmass "2827.36805" .

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 .