@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://www.irandoc.acir/onto/irandoc/CHEBI:219721>
  skos:prefLabel "tolaasin i"@en, "تولاسین I"@fa ;
  ns0:synonym_EXACT "(2R)-N-[(2S)-1-[[(2R)-1-[[(Z)-1-[[(3S,6R,9S,12S,15R,16R)-3-(4-aminobutyl)-6-(2-aminoethyl)-12-[(2S)-butan-2-yl]-9-(2-hydroxyethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-hydroxy-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-hydroxy-2-[[(2S)-1-[(Z)-2-(3-hydroxyoctanoylamino)but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]pentanediamide" ;
  ns0:formula "C94H163N21O25" ;
  ns0:mass "1987.460" ;
  a skos:Concept, <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept> ;
  skos:broader <http://www.irandoc.acir/onto/irandoc/CHEBI:35213> ;
  ns0:charge "0" ;
  ns0:subset "2_STAR" ;
  ns0:smiles "O=C1O[C@@H]([C@@H](NC(=O)/C(/NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]2N(C(=O)/C(/NC(=O)CC(O)CCCCC)=C/C)CCC2)CO)CC(C)C)C(C)C)CO)CC(C)C)C(C)C)C(C)C)CCC(=O)N)CC(C)C)C(C)C)=C/C)C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1CCCCN)=O)CCN)=O)CCO)[C@H](CC)C)C" ;
  ns0:monoisotopicmass "1986.21290" ;
  ns0:inchi "InChI=1S/C94H163N21O25/c1-21-25-26-30-56(119)44-70(121)98-58(24-4)93(138)115-39-29-32-68(115)86(131)107-66(45-117)84(129)105-64(42-48(7)8)82(127)110-72(51(13)14)89(134)108-67(46-118)85(130)106-65(43-49(9)10)83(128)111-74(53(17)18)90(135)112-73(52(15)16)88(133)101-59(33-34-69(97)120)78(123)104-63(41-47(5)6)81(126)109-71(50(11)12)87(132)99-57(23-3)77(122)114-76-55(20)140-94(139)62(31-27-28-37-95)103-79(124)60(35-38-96)100-80(125)61(36-40-116)102-91(136)75(54(19)22-2)113-92(76)137/h23-24,47-56,59-68,71-76,116-119H,21-22,25-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,132)(H,100,125)(H,101,133)(H,102,136)(H,103,124)(H,104,123)(H,105,129)(H,106,130)(H,107,131)(H,108,134)(H,109,126)(H,110,127)(H,111,128)(H,112,135)(H,113,137)(H,114,122)/b57-23-,58-24-/t54-,55+,56?,59+,60+,61-,62-,63-,64+,65+,66+,67+,68-,71+,72+,73-,74+,75-,76+/m0/s1" ;
  ns0:inchikey "PQXDAQPDGVWOTE-ZJOVYRACSA-N" .

ns0:formula rdfs:label "فرمول"@fa, "formula"@en .
ns0:smiles rdfs:label "اسمایلٓ"@fa, "smiles"@en .
ns0:subset rdfs:label "زیرمجموعه"@fa, "subset"@en .
ns0:inchikey rdfs:label "اینچی‌کی"@fa, "inchikey"@en .
<http://www.irandoc.acir/onto/irandoc/CHEBI:35213>
  skos:prefLabel "سیکلودپسی پپتید"@fa, "cyclodepsipeptide"@en ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  skos:narrower <http://www.irandoc.acir/onto/irandoc/CHEBI:219721> .

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 .