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Chemistry, part 1

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Concept information

cobalt coordination entity > cobalt corrinoid > cobalt-precorrin-4
... > organic aromatic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-4
... > organic heterocyclic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-4
... > 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-4
... > organic heterocyclic compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > corrinoid > cobalt corrinoid > cobalt-precorrin-4
... > organic aromatic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-4
... > organic heterocyclic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-4
... > 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-4
... > organic heterocyclic compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > cobalt corrinoid > cobalt-precorrin-4

Preferred term

cobalt-precorrin-4  

Type

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

Broader concept

charge

  • 0

formula

  • C44H50CoN4O16

has_functional_parent

inchi

  • InChI=1S/C44H51N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h15,17,20,23-24H,5-14,16,18-19H2,1-4H3,(H8,46,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-1/b28-15-;/t20?,23-,24-,41-,42+,43+,44?;/m1./s1

inchikey

  • VHHGJROBFDFFAE-QTESGACZSA-M

is_conjugate_acid_of

mass

  • 949.81820

monoisotopicmass

  • 949.25538

smiles

  • CC1OC(=O)C[C@@]2(C)[C@H](CCC(O)=O)C3=CC4=[N+]5C(=Cc6c(CC(O)=O)c(CCC(O)=O)c7CC8=[N+]9C(=C(CC(O)=O)[C@@]8(C)CCC(O)=O)C12N3[Co--]59n67)[C@@H](CCC(O)=O)[C@]4(C)CC(O)=O

subset

  • 3_STAR

synonym RELATED

  • Cobalt-precorrin 4

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3792

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