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Chemistry, part 1

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Concept information

cobalt coordination entity > cobalt corrinoid > cobalt-precorrin-6a
... > organic aromatic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-6a
... > organic heterocyclic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-6a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-6a
... > organic heterocyclic compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-6a
... > organic aromatic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-6a
... > organic heterocyclic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-6a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-6a
... > organic heterocyclic compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-6a

Preferred term

cobalt-precorrin-6a  

Type

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

Broader concept

charge

  • +1

formula

  • C44H53CoN4O16

inchi

  • InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,40-,41+,42+,43+,44+;/m1./s1

inchikey

  • DFFFCFUPOVLDTP-IICGDJHVSA-M

is_conjugate_acid_of

mass

  • 952.84200

monoisotopicmass

  • 952.27830

smiles

  • C[C@@]1(CCC(O)=O)C(CC(O)=O)=C2[N+]3=C1CC1=[N+]4[C@@](C)(CC5=C(CCC(O)=O)[C@](C)(CC(O)=O)C6=[N+]5[Co--]34N3C(=C6)[C@@H](CCC(O)=O)[C@](C)(CC(O)=O)[C@]23C)C(CC(O)=O)=C1CCC(O)=O

subset

  • 3_STAR

synonym EXACT

  • 3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt

synonym RELATED

  • Cobalt-precorrin 6
  • Cobalt-precorrin 6A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3794

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