Send us a Message

Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:citrafungin A
go back to main search page
Accession:CHEBI:65635 term browser browse the term
Definition:A carboxylic ester obtained by the formal condensation of 4-carboxy group of (2R)-2-hydroxy-2-{(3R,5R)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dien-1-yl]tetrahydrofuran-3-yl}butanedioic acid with the hydroxy group of 3-carboxy-2,3-dideoxy-L-threo-pentaric acid. It is a fungal metabolite that acts as an inhibitor of geranylgeranyltransferase type I(GGTase I) of pathogenic fungal species.
Synonyms:exact_synonym: 3-carboxy-2-O-[(3R)-3-carboxy-3-hydroxy-3-{(3R,5R)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dien-1-yl]tetrahydrofuran-3-yl}propanoyl]-3,4-dideoxy-L-threo-pentaric acid
 related_synonym: Formula=C28H40O13;   InChI=1S/C28H40O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-20(26(36)40-18)28(39,27(37)38)17-22(31)41-23(25(34)35)19(24(32)33)16-21(29)30/h9-10,13-14,18-20,23,39H,2-8,11-12,15-17H2,1H3,(H,29,30)(H,32,33)(H,34,35)(H,37,38)/b10-9-,14-13+/t18-,19-,20-,23+,28+/m0/s1;   InChIKey=ILSZYBVYZFASML-KRZMJZBHSA-N;   SMILES=[H][C@@]1(C[C@@H](OC1=O)\\C=C\\CC\\C=C/CCCCCCCC)[C@](O)(CC(=O)O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O
 xref: Chemspider:9585549;   PMID:14748587;   Reaxys:9682030

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      biological role 19711
        biochemical role 19429
          metabolite 19416
            citrafungin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18798
                                    carbonyl compound 18798
                                      carboxylic ester 15962
                                        lactone 11411
                                          gamma-lactone 6837
                                            butan-4-olide 308
                                              citrafungin A 0
paths to the root