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ONTOLOGY REPORT - ANNOTATIONS


Term:colistin A sodium methanesulfonate
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Accession:CHEBI:59663 term browser browse the term
Definition:Colistin A in which each of the primary amino groups is converted into the corresponding aminomethanesulfonic acid sodium salt, commonly by treatment with formaldehyde followed by sodium bisulfite.
Synonyms:exact_synonym: pentasodium {[(3S)-4-{[(3S,6S,9S,12S,15R,18S,21S)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-{[(6R)-6-methyloctanoyl]amino}-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonate
 related_synonym: Formula=C58H105N16Na5O28S5;   InChI=1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5/t35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,47+,48+;;;;;/m1...../s1;   InChIKey=IQWHCHZFYPIVRV-VLLYEMIKSA-I;   SMILES=[Na+].[Na+].[Na+].[Na+].[Na+].CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O;   colistin A sulfomethate sodium;   polymyxin E1 sodium methanesulfonate;   polymyxin E1 sulfomethate sodium
 xref: PMID:16931410


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Term Annotations click to browse term
  CHEBI ontology 19790
    role 19738
      biological role 19737
        antimicrobial agent 17320
          peptide antibiotic 1665
            colistin A sodium methanesulfonate 0
              colistimethate sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19790
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19674
                    p-block element atom 19674
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18475
                              organic divalent group 18468
                                organodiyl group 18468
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18034
                                        carboacyl group 17190
                                          univalent carboacyl group 17190
                                            carbamoyl group 16928
                                              carboxamide 16928
                                                peptide 9369
                                                  cyclic peptide 8720
                                                    heterodetic cyclic peptide 1441
                                                      polymyxin 48
                                                        colistin A 14
                                                          colistin A sodium methanesulfonate 0
                                                            colistimethate sodium 0
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