@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:204391>
  skos:prefLabel "catenulipeptin"@en, "کاتنولیپپتین"@fa ;
  ns0:charge "0" ;
  ns0:formula "C99H152N32O34S2" ;
  ns0:inchi "InChI=1S/C99H152N32O34S2/c1-14-48(12)78-94(161)131-98(39-167-38-64(90(157)121-59(23-76(145)146)88(155)122-60(95(162)163)18-46(8)9)125-84(151)52(15-43(2)3)119-85(152)53(16-44(4)5)126-96(98)164)24-61(83(150)110-36-74(142)127-78)123-86(153)56(20-51-28-103-42-113-51)116-72(140)33-108-81(148)57(21-65(101)133)120-89(156)63-37-166-40-99(97(165)129-77(47(10)11)93(160)128-79(49(13)132)92(159)111-35-73(141)118-63)25-62(82(149)109-34-71(139)115-54(17-45(6)7)91(158)130-99)124-87(154)58(22-75(143)144)117-70(138)32-106-68(136)30-104-67(135)29-105-69(137)31-107-80(147)55(114-66(134)26-100)19-50-27-102-41-112-50/h27-28,41-49,52-64,77-79,132H,14-26,29-40,100H2,1-13H3,(H2,101,133)(H,102,112)(H,103,113)(H,104,135)(H,105,137)(H,106,136)(H,107,147)(H,108,148)(H,109,149)(H,110,150)(H,111,159)(H,114,134)(H,115,139)(H,116,140)(H,117,138)(H,118,141)(H,119,152)(H,120,156)(H,121,157)(H,122,155)(H,123,153)(H,124,154)(H,125,151)(H,126,164)(H,127,142)(H,128,160)(H,129,165)(H,130,158)(H,131,161)(H,143,144)(H,145,146)(H,162,163)/t48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,77-,78-,79-,98-,99-/m0/s1" ;
  ns0:subset "2_STAR" ;
  ns0:smiles "S1C[C@]2(NC(=O)[C@@H](NC(=O)CNC([C@H](C2)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CN)CC=3NC=NC3)CC(=O)O)=O)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H]([C@H](O)C)C(NCC(N[C@@H](C1)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H]4C(=O)NCC(=O)N[C@H](C(N[C@]5(C4)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N[C@@H](CSC5)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)O)=O)CC(C)C)=O)[C@H](CC)C)CC=6NC=NC6)CC(=O)N)=O)=O)C(C)C" ;
  ns0:inchikey "AXDPBAOMGSGZMT-PMTSSQHDSA-N" ;
  ns0:synonym_EXACT "(2S)-2-[[(2S)-2-[[[(3S,9S,11R,14S,17S,20R)-9-[[(2S)-2-[[2-[[(2S)-2-[[[(3S,9S,11R,14S,17S,23R)-9-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-2,5,8,12,15,18,21-heptahydroxy-17-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-14-propan-2-yl-25-thia-1,4,7,13,16,19,22-heptazaspiro[10.15]hexacosa-1,4,7,12,15,18,21-heptaen-23-yl]-hydroxymethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-3-[(2S)-butan-2-yl]-2,5,8,12,15,18-hexahydroxy-14,17-bis(2-methylpropyl)-22-thia-1,4,7,13,16,19-hexazaspiro[10.12]tricosa-1,4,7,12,15,18-hexaen-20-yl]-hydroxymethylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-4-methylpentanoic acid" ;
  a skos:Concept, <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept> ;
  skos:broader <http://www.irandoc.acir/onto/irandoc/CHEBI:15841> ;
  ns0:mass "2398.620" ;
  ns0:monoisotopicmass "2397.05901" .

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:15841>
  skos:prefLabel "پلی پپتید"@fa, "polypeptide"@en ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  skos:narrower <http://www.irandoc.acir/onto/irandoc/CHEBI:204391> .

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 .