CHEBI:143131 - ferric yersiniabactin

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ChEBI Name ferric yersiniabactin
ChEBI ID CHEBI:143131
Definition An iron coordination entity consisting of iron(III) coordinated as a 1:1 complex by three nitrogen electron pairs and three negatively charged oxygen atoms of yersiniabactin with a distorted octahedral coordination.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
Download Molfile XML SDF
Formula C21H23FeN3O4S3
Net Charge 0
Average Mass 533.460
Monoisotopic Mass 533.02001
InChI InChI=1S/C21H25N3O4S3.Fe/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25;/h4-7,12-13,15,17,25H,8-10H2,1-3H3,(H,27,28);/q-2;+4/p-2/t12-,13+,15+,17?,21+;/m0./s1
InChIKey CLXCFZCRXPNFHJ-AOWBWOEMSA-L
SMILES C=1C2=C(C=CC1)O[Fe]3456N7=C(SC[C@@]7(C(=O)O3)C)C([C@@]([C@@]8(CSC([C@]9(CSC2=N94)[H])N85)[H])(O6)[H])(C)C
Roles Classification
Biological Role(s): virulence factor
Any toxin secreted by bacteria, viruses, fungi or protozoa enabling them to achieve colonisation of a niche in the host, inhibit or evade the host's immune response, enter and exit cells, or obtain nutrition from the host.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ferric yersiniabactin (CHEBI:143131) has part iron(3+) (CHEBI:29034)
ferric yersiniabactin (CHEBI:143131) has part yersiniabactin(1−) (CHEBI:149525)
ferric yersiniabactin (CHEBI:143131) has role bacterial metabolite (CHEBI:76969)
ferric yersiniabactin (CHEBI:143131) has role virulence factor (CHEBI:72316)
ferric yersiniabactin (CHEBI:143131) is a Fe(III)-complexed siderophore (CHEBI:84734)
Synonyms Sources
Fe(III)-yersiniabactin ChEBI
ferric Ybt SUBMITTER
ferric-yersiniabactin ChEBI
yersiniabactin-Fe(III) SUBMITTER
Citations Waiting for Citations Types Sources
16806483 PubMed citation SUBMITTER
18174135 PubMed citation Europe PMC
21609780 PubMed citation Europe PMC
22679291 PubMed citation Europe PMC
22772152 PubMed citation Europe PMC
Last Modified
21 April 2020