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    <!-- http://purl.obolibrary.org/obo/CHEBI_17439 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17439">
        <rdfs:label>cyanocob(III)alamin</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_176843"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">1354.5674</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">1355.388</ns4:mass>
        <oboInOwl:hasRelatedSynonym>Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Dicopac</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>CN-Cbl</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pdb-ccd:CNC</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:14041</oboInOwl:hasAlternativeId>
        <ns4:inchi_key_string>RMRCNWBMXRMIRW-WZHZPDAFSA-L</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>gmelin:249901</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C02823</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>cyanocob(III)alamin</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>knapsack:C00001534</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>CO-CYANOCOBALAMIN</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:48820</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>pubmed:29286160</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C63H88CoN14O14P</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>kegg.drug:D00166</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>cyanocobalamin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Vitamin B12 complex</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>Cyanocob(III)alamin</oboInOwl:hasExactSynonym>
        <oboInOwl:id>CHEBI:17439</oboInOwl:id>
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        <ns4:inchi_string>InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>cas:68-19-9</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>vitamin B-12</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12.</ns3:IAO_0000115>
        <oboInOwl:hasExactSynonym>Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide</oboInOwl:hasExactSynonym>
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        <oboInOwl:hasDbXref>gmelin:457955</oboInOwl:hasDbXref>
        <ns4:smiles_string>[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@]([H])(C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc54)[Co-3]456([C]#N)[N]1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O</ns4:smiles_string>
        <oboInOwl:hasAlternativeId>CHEBI:23435</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>cyanocob(III)alamin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugbank:DB00115</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:60496</oboInOwl:hasAlternativeId>
        <oboInOwl:hasAlternativeId>CHEBI:3979</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>Cyanocob(III)alamin</oboInOwl:hasRelatedSynonym>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_176843 -->

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