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CHEBI:221220 - Frederiksenibactin

ChEBI IDCHEBI:221220
ChEBI NameFrederiksenibactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H65N9O19
Net Charge0
Average Mass1072.092
Monoisotopic Mass1071.43967
SMILESNCCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)c1cccc(O)c1O)NC(=O)[C@H](CCCCN)NC(=O)c1cccc(O)c1O)C(=O)O
InChIInChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72)/t28-,29-,30-,31-,32-,33-/m0/s1
InChIKeyYTIOHQGZCPYGOD-FSJACQRISA-N
Species of MetaboliteComponentSourceComments
Yersinia frederiksenii ATCC 33641 (ncbitaxon:349966) - PubMed (34603680)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Frederiksenibactin (CHEBI:221220) is a depsipeptide (CHEBI:23643)