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Concept information

Preferred term

cobyric acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • +2

formula

  • C45H65CoN10O8

has_functional_parent

inchi

  • InChI=1S/C45H66N10O8.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1

inchikey

  • BORCAUPXFYNHHW-OKJGWHJPSA-M

mass

  • 932.99340

monoisotopicmass

  • 932.43078

smiles

  • [H][C@]12[C@H](CC(N)=O)[C@@](C)(CCC(O)=O)/C(N1[Co++])=C(C)/C1=N/C(=C/C3=N/C(=C(C)/C4=N[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

subset

  • 3_STAR

synonym EXACT

  • cobyric acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:23345

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