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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:pantethine
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Accession:CHEBI:31959 term browser browse the term
Definition:An organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group.
Synonyms:exact_synonym: (2R,2'R)-N,N'-{disulfanediylbis[ethane-2,1-diylimino(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)
 related_synonym: (R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide);   Bis(pantothenamidoethyl) disulfide;   D-Bis(N-pantothenyl-beta-aminoethyl) disulfide;   D-pantethine;   Formula=C22H42N4O8S2;   InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1;   InChIKey=DJWYOLJPSHDSAL-ROUUACIJSA-N;   N-[2-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyldisulfanyl]ethylcarbamoyl]ethyl]-2,4-dihydroxy-3,3-dimethyl-butanamide;   Pantetina;   Pantomin;   SMILES=CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
 xref: CAS:16816-67-4;   Drug_Central:3417;   HMDB:HMDB0003828;   KEGG:C12661;   KEGG:D01234;   PMID:20351285;   PMID:20416081;   PMID:21155629;   PMID:21551303;   PMID:21925346;   PMID:21963510;   Reaxys:1718252;   Wikipedia:Pantethine

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Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        biochemical role 19339
          cofactor 15554
            coenzyme 865
              pantethine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        amino acid 14110
                                          non-proteinogenic amino acid 1801
                                            beta-amino acid 187
                                              beta-alanine 55
                                                beta-alanine derivative 55
                                                  pantothenic acids 27
                                                    pantothenic acid 27
                                                      pantethine 0
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