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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:nickel-sirohydrochlorin a,c-diamide(6-)
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Accession:CHEBI:136887 term browser browse the term
Definition:A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of nickel-sirohydrochlorin a,c-diamide; major species at pH 7.3.
Synonyms:exact_synonym: {3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-bis(2-amino-2-oxoethyl)-3,17-bis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetra(propanoato)(8-)}nickelate(6-)
 related_synonym: Formula=C42H40N6NiO14;   InChI=1S/C42H48N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)58)30(48-31)16-32(41)47-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H12,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-8/t23-,24-,41+,42+;/m1./s1;   InChIKey=RIGHEWUFSUWNMM-QIISWYHFSA-F;   Ni-sirohydrochlorin a,c-diamide;   SMILES=C=12[C@H]([C@@](CC(N)=O)(C)C=3[N+]1[Ni-2]45N6C(C3)=C(C(CCC([O-])=O)=C6C=C7[N+]5=C(C=C8N4C(=C2)[C@]([C@@H]8CCC([O-])=O)(CC(N)=O)C)C(=C7CCC([O-])=O)CC([O-])=O)CC([O-])=O)CCC([O-])=O
 xref: MetaCyc:CPD-7590;   PMID:27846569
 cyclic_relationship: is_conjugate_base_of CHEBI:137696


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19769
      molecular entity 19767
        ion 15857
          organic ion 8311
            organic anion 2998
              cyclic tetrapyrrole anion 0
                nickel-sirohydrochlorin a,c-diamide(6-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19550
                        carbon group molecular entity 19550
                          organic molecular entity 19539
                            organic ion 8311
                              organic anion 2998
                                carboxylic acid anion 2384
                                  hexacarboxylic acid anion 0
                                    nickel-sirohydrochlorin a,c-diamide(6-) 0
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