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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)-heme i(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > cyclic tetrapyrrole anion > fe(ii)-heme 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)-heme i(2-)

Preferred term

fe(ii)-heme i(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C49H56FeN4O6

inchi

  • InChI=1S/C49H60N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-26,46,54-55H,1,10-12,14,16,18-22,27H2,2-8H3,(H4,50,51,52,53,56,57,58,59);/q;+2/p-4/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1

inchikey

  • DUDFUCVGSNDDBK-PRYGPKJJSA-J

mass

  • 852.855

monoisotopicmass

  • 852.35602

smiles

  • C1=2N3C(C=C4[N+]5=C(C=C6N7C(=CC8=[N+](C(=C1)C(=C8CCC([O-])=O)CO)[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)-heme i

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147291

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