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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:carboxyspermidine(2+)
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Accession:CHEBI:65072 term browser browse the term
Definition:The alpha-amino-acid cation formed from carboxyspermidine by zwitterion formation between the carboxy and alpha-amino groups and protonation of the nitrogen atoms at positions 5 and 10; the major structure of carboxyspermidine at pH 7.3.
Synonyms:exact_synonym: (2S)-2-azaniumyl-5-[(3-azaniumylpropyl)azaniumyl]pentanoate
 related_synonym: (2S)-2-ammonio-5-[(3-ammoniopropyl)ammonio]pentanoate;   Formula=C8H21N3O2;   InChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/p+2/t7-/m0/s1;   InChIKey=ICLFWLHIBPQMFT-ZETCQYMHSA-P;   SMILES=[NH3+]CCCC[NH2+]CC[C@H]([NH3+])C([O-])=O;   carboxyspermidine
 xref: MetaCyc:CPD-10012;   PMID:19196710
 cyclic_relationship: is_conjugate_acid_of CHEBI:66868


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  CHEBI ontology 19808
    chemical entity 19806
      molecular entity 19806
        ion 16690
          cation 16505
            organic cation 8908
              amino-acid cation 11
                alpha-amino-acid cation 11
                  carboxyspermidine(2+) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon group molecular entity 19705
                          organic molecular entity 19702
                            organic ion 9858
                              organic cation 8908
                                amino-acid cation 11
                                  alpha-amino-acid cation 11
                                    carboxyspermidine(2+) 0
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