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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:surfactin C
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Accession:CHEBI:71978 term browser browse the term
Definition:A cyclodepsipeptide that is N-[(3R)-3-hydroxy-13-methyltetradecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group.
Synonyms:exact_synonym: 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid
 related_synonym: Formula=C53H93N7O13;   InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1;   InChIKey=NJGWOFRZMQRKHT-WGVNQGGSSA-N;   SMILES=[H][C@@]1(CCCCCCCCCC(C)C)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1
 xref: CAS:24730-31-2;   KEGG:C12043
 xref_mesh: MESH:C009365
 xref: PMID:12007605;   PMID:16245181;   PMID:16734989;   PMID:17126323;   PMID:17928958


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5081
    role 5046
      biological role 5046
        antimicrobial agent 265
          antiviral agent 89
            surfactin C 0
              surfactin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5081
    subatomic particle 5072
      composite particle 5072
        hadron 5072
          baryon 5072
            nucleon 5072
              atomic nucleus 5072
                atom 5072
                  main group element atom 5042
                    p-block element atom 5039
                      carbon group element atom 4957
                        carbon atom 4956
                          organic molecular entity 4956
                            heteroorganic entity 4796
                              organochalcogen compound 4758
                                organooxygen compound 4719
                                  carbon oxoacid 375
                                    carboxylic acid 370
                                      carboacyl group 214
                                        univalent carboacyl group 214
                                          carbamoyl group 211
                                            carboxamide 211
                                              peptide 55
                                                peptide antibiotic 3
                                                  lipopeptide antibiotic 0
                                                    surfactin C 0
                                                      surfactin 0
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