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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:ferroheme a
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Accession:CHEBI:36163 term browser browse the term
Definition:A heme a that has formula C49H56FeN4O6.
Synonyms:exact_synonym: [3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron
 related_synonym: (cytoporphyrinato)iron(II);   Formula=C49H58FeN4O6;   InChI=1S/C49H58N4O6.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;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1;   InChIKey=ZGGYGTCPXNDTRV-PRYGPKJJSA-L;   SMILES=C1=2N3C(C=C4N5=C(C=C6N7C(=CC8=N(C(=C1)C(=C8CCC(O)=O)C([H])=O)[Fe]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;   {3,3'-[7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl)-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(2-)}iron
 xref: Beilstein:1206306;   KEGG:C15670;   PDBeChem:HEA
 cyclic_relationship: is_conjugate_acid_of CHEBI:61715


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Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      biological role 19822
        biochemical role 19533
          metabolite 19519
            heme 221
              heme a 0
                ferroheme a 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic heterocyclic compound 18878
                                  organonitrogen heterocyclic compound 18155
                                    polypyrrole 697
                                      tetrapyrrole 585
                                        cyclic tetrapyrrole 455
                                          porphyrins 372
                                            metalloporphyrin 333
                                              heme 221
                                                heme a 0
                                                  ferroheme a 0
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