loading...| Preferred Name |
cyanocob(III)alamin |
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| Synonyms |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_17439 |
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| altId |
CHEBI:48820 CHEBI:60496 CHEBI:14041 CHEBI:23435 CHEBI:3979 |
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| Definition |
A cob(III)alamin that has formula C63H88CoN14O14P. |
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| InChI |
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 |
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| InChIKey |
InChIKey=RMRCNWBMXRMIRW-WZHZPDAFSA-L |
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| label |
cyanocob(III)alamin |
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| prefixIRI |
obo2:CHEBI_17439 |
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| prefLabel |
cyanocob(III)alamin |
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| SMILES |
[H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O |
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| Synonym |
C63H88CoN14O14P cyanocobalamin Cyanocob(III)alamin cyanocob(III)alamin Vitamin B12 complex Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide Dicopac CN-Cbl vitamin B-12 CO-CYANOCOBALAMIN |
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| xref |
DrugBank:DB00115 KEGG COMPOUND:C02823 ChemIDplus:68-19-9 KEGG DRUG:D00166 KEGG COMPOUND:68-19-9 PDBeChem:CNC KNApSAcK:C00001534 Gmelin:249901 Gmelin:457955 |
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| subClassOf |