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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:trans-heme d hydroxychlorin gamma-spirolactone
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Accession:CHEBI:62808 term browser browse the term
Definition:A metallochlorin that is ferroheme b which is hydroxylated at positions 5 and 6, and in which the resulting 6-hydroxy group undergoes formal condensation with the carboxy group of the 6-carboxyethyl group to afford the corresponding spirolactone in which the oxygen atoms at positions 5 and 6 are trans to each other.
Synonyms:exact_synonym: {3-[(2SR,5'SR)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa(4)N(21'),N(22'),N(23'),N(24')]propanoato(2-)}iron
 related_synonym: Formula=C34H32FeN4O5;   InChI=1S/C34H33N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H2-,35,36,37,38,39,40);/q-1;+2/p-1/t33-,34-;/m0./s1;   InChIKey=HMYRFFHHXXPRDI-GFLYYBHISA-M;   SMILES=Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC(O)=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@@]1(CCC(=O)O1)[C@@]3(C)O;   trans-haem d hydroxychlorin gamma-spirolactone
 xref: PMID:8621527
 cyclic_relationship: is_conjugate_acid_of CHEBI:62809


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  CHEBI ontology 19781
    role 19726
      biological role 19726
        biochemical role 19319
          metabolite 19301
            heme 212
              ferroheme 120
                trans-heme d hydroxychlorin gamma-spirolactone 0
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  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                organic heterocyclic compound 18550
                                  organonitrogen heterocyclic compound 17522
                                    polypyrrole 656
                                      tetrapyrrole 546
                                        cyclic tetrapyrrole 418
                                          porphyrins 344
                                            metalloporphyrin 313
                                              heme 212
                                                ferroheme 120
                                                  trans-heme d hydroxychlorin gamma-spirolactone 0
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