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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:N(6)-[H2N-NLFQVVHNSYNRPAYSPG-N-\{54-amino-7,10,18,21,29,32,40,43,51,54-decaoxo-3,14,25,36,47-pentakis-[5-(\{2-[alpha-L-Rhap-(1->3)-beta-D-GlcpO]ethyl\}sulfinyl)pentanoyl]-3,6,11,14,17,22,25,28,33,36,39,44,47,50-tetradecaazatetrapentacont-1-yl\}]adipamido group
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Accession:CHEBI:132682 term browser browse the term
Definition:An organic group consisting of an H2N-NLFQVVHNSYNRPAYSPG-N-{54-amino-7,10,18,21,29,32,40,43,51,54-decaoxo-3,14,25,36,47-pentakis-[5-({2-[alpha-L-Rhap-(1->3)-beta-D-GlcpO]ethyl}sulfinyl)pentanoyl]-3,6,11,14,17,22,25,28,33,36,39,44,47,50-tetradecaazatetrapentacont-1-yl} group linked to the terminal N of an adipamido group. PMID:27091615 reports several of these being linked to the CRM197 immunogenic carrier protein to form a semisynthetic glycoconjugate.
Synonyms:exact_synonym: (1-{[3-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy}-20,31,42,53-tetrakis{5-[(2-{[3-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy}ethyl)sulfinyl]pentanoyl}-3-oxido-8,13,16,24,27,35,38,46,49,57,60,62-dodecaoxo-9-{2-[( L-asparaginyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-valyl-L-valyl-L-histidyl-L-asparaginyl-L-seryl-L-tyrosyl-L-asparaginyl-L-arginyl-L-prolyl-L-alanyl-L-tyrosyl-L-seryl-L-prolylL-prolylglycyl)amino]ethyl}-3lambda(4)-thia-9,12,17,20,23,28,31,34,39,42,45,50,53,56,61-pentadecaazahexahexacontan-66-yl)amino
 related_synonym: (1-{[3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-20,31,42,53-tetrakis{5-[(2-{[3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}ethyl)sulfinyl]pentanoyl}-3-oxido-8,13,16,24,27,35,38,46,49,57,60,62-dodecaoxo-9-{2-[( L-asparaginyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-valyl-L-valyl-L-histidyl-L-asparaginyl-L-seryl-L-tyrosyl-L-asparaginyl-L-arginyl-L-prolyl-L-alanyl-L-tyrosyl-L-seryl-L-prolylL-prolylglycyl)amino]ethyl}-3lambda(4)-thia-9,12,17,20,23,28,31,34,39,42,45,50,53,56,61-pentadecaazahexahexacontan-66-yl)amino;   (1-{[3-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]oxy}-20,31,42,53-tetrakis{5-[(2-{[3-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]oxy}ethyl)sulfinyl]pentanoyl}-3-oxido-8,13,16,24,27,35,38,46,49,57,60,62-dodecaoxo-9-{2-[( L-Asn-L-Leu-L-Phe-L-Gln-L-Val-L-Val-L-His-L-Asn-L-Ser-L-Tyr-L-Asn-L-Arg-L-Pro-L-Ala-L-Tyr-L-Ser-L-ProL-Gly)amino]ethyl}-3lambda(4)-thia-9,12,17,20,23,28,31,34,39,42,45,50,53,56,61-pentadecaazahexahexacontan-66-yl)amino;   Formula=C233H379N44O97S5;   SMILES=C(C(=O)N)[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](CC(=O)N)C(=O)N[C@H](C(N[C@H](C(N[C@@H](CC(=O)N)C(N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(=O)NCC(NCCN(CCNC(CCC(NCCN(CCNC(CCC(NCCN(CCNC(CCC(NCCN(CCNC(CCC(NCCN(CCNC(CCC(NC(CCCCN*)=O)=O)=O)C(CCCCS(=O)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O)=O)=O)=O)C(CCCCS(=O)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)=O)=O)=O)C(CCCCS(=O)CCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)=O)=O)=O)C(CCCCS(=O)CCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]%10[C@@H]([C@@H]([C@H]([C@@H](O%10)C)O)O)O)O)=O)=O)=O)C(CCCCS(=O)CCO[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@@H]([C@H]([C@@H](O%12)C)O)O)O)O)=O)=O)CCC2)=O)CO)=O)CC%13=CC=C(C=C%13)O)=O)C)CCCNC(N)=N)=O)=O)CC%14=CC=C(C=C%14)O)=O)CO)=O)CC=%15N=CNC%15)C(C)C)=O)C(C)C)=O)CCC(=O)N)=O)CC=%16C=CC=CC%16)=O)CC(C)C)=O)N
 xref: PMID:27091615


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  CHEBI ontology 19811
    chemical entity 19840
      group 19768
        organic group 18926
          N(6)-[H2N-NLFQVVHNSYNRPAYSPG-N-\{54-amino-7,10,18,21,29,32,40,43,51,54-decaoxo-3,14,25,36,47-pentakis-[5-(\{2-[alpha-L-Rhap-(1->3)-beta-D-GlcpO]ethyl\}sulfinyl)pentanoyl]-3,6,11,14,17,22,25,28,33,36,39,44,47,50-tetradecaazatetrapentacont-1-yl\}]adipamido group 0
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  group 19768
                    organic group 18926
                      N(6)-[H2N-NLFQVVHNSYNRPAYSPG-N-\{54-amino-7,10,18,21,29,32,40,43,51,54-decaoxo-3,14,25,36,47-pentakis-[5-(\{2-[alpha-L-Rhap-(1->3)-beta-D-GlcpO]ethyl\}sulfinyl)pentanoyl]-3,6,11,14,17,22,25,28,33,36,39,44,47,50-tetradecaazatetrapentacont-1-yl\}]adipamido group 0
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