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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:NMN zwitterion
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Accession:CHEBI:16171 term browser browse the term
Definition:A nicotinamide mononucleotide that has formula C11H15N2O8P.
Synonyms:exact_synonym: 3-carbamoyl-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium
 related_synonym: 3-(aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium;   3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium, inner salt;   Formula=C11H15N2O8P;   InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1;   InChIKey=DAYLJWODMCOQEW-TURQNECASA-N;   NMN;   Nicotinamide D-ribonucleotide;   Nicotinamide mononucleotide;   Nicotinamide nucleotide;   Nicotinamide ribonucleotide;   SMILES=NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O;   beta-Nicotinamide D-ribonucleotide;   beta-Nicotinamide mononucleotide;   beta-Nicotinamide ribonucleotide
 alt_id: CHEBI:10433;   CHEBI:12397;   CHEBI:13409;   CHEBI:14646;   CHEBI:14647;   CHEBI:22850;   CHEBI:25522;   CHEBI:7557
 xref: Beilstein:3570187;   CAS:1094-61-7;   KEGG:C00455;   KNApSAcK:C00019694
 xref_mesh: MESH:D009537
 xref: PDBeChem:NMN
 cyclic_relationship: is_conjugate_acid_of CHEBI:14649;   is_conjugate_base_of CHEBI:14648

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  CHEBI ontology 2
    role 2
      biological role 2
        biochemical role 2
          metabolite 2
            prokaryotic metabolite 2
              bacterial metabolite 2
                Escherichia coli metabolite 2
                  NMN zwitterion 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      chalcogen 2
                        oxygen atom 1
                          oxygen molecular entity 1
                            hydroxides 1
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              carbohydrate phosphate 0
                                                phospho sugar 0
                                                  aldose phosphate 0
                                                    aldopentose phosphate 0
                                                      ribose phosphate 0
                                                        ribonucleotide 0
                                                          nicotinamide mononucleotide 0
                                                            NMN zwitterion 0
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