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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > cyclic tetrapyrrole anion > fe(ii)-hydroxyheme i(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > cyclic tetrapyrrole anion > fe(ii)-hydroxyheme i(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > cyclic tetrapyrrole anion > fe(ii)-hydroxyheme i(2-)

Preferred term

fe(ii)-hydroxyheme i(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C49H56FeN4O7

inchi

  • InChI=1S/C49H60N4O7.Fe/c1-9-33-30(6)37-24-42-47(44(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3)32(8)38(52-42)25-43-48(49(59)60)35(20-22-46(57)58)41(53-43)26-40-34(19-21-45(55)56)31(7)36(51-40)23-39(33)50-37;/h9,13,15,17,23-26,44,49,54,59-60H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b28-15+,29-17+,36-23-,37-24-,38-25-,39-23-,40-26-,41-26-,42-24-,43-25-;/t44-;/m0./s1

inchikey

  • WLGRCQGURUMQMH-JEZRNDINSA-J

mass

  • 868.854

monoisotopicmass

  • 868.35093

smiles

  • C1=2N3C(C=C4[N+]5=C(C=C6N7C(=CC8=[N+](C(=C1)C(=C8CCC([O-])=O)C(O)O)[Fe-2]735)C(=C6C)CCC([O-])=O)C(=C4C)C=C)=C(C2C)[C@H](CC/C=C(/C)/CC/C=C(/CCC=C(C)C)/C)O

subset

  • 2_STAR

synonym RELATED

  • Fe(II)-hydroxyheme i

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147292

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