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CHEBI:199856 - Fimsbactin E

ChEBI IDCHEBI:199856
ChEBI NameFimsbactin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O10
Net Charge0
Average Mass446.368
Monoisotopic Mass446.09614
SMILESO=C(OC[C@H](NC(=O)[C@@H]1COC(c2cccc(O)c2O)=N1)C(=O)O)c1cccc(O)c1O
InChIInChI=1S/C20H18N2O10/c23-13-5-1-3-9(15(13)25)18-22-11(7-31-18)17(27)21-12(19(28)29)8-32-20(30)10-4-2-6-14(24)16(10)26/h1-6,11-12,23-26H,7-8H2,(H,21,27)(H,28,29)/t11-,12-/m0/s1
InChIKeyCOTAVYXDLPLEBS-RYUDHWBXSA-N
Species of MetaboliteComponentSourceComments
Acinetobacter baumannii ATCC 17978 (ncbitaxon:400667) - PubMed (23456955)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fimsbactin E (CHEBI:199856) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2S)-3-(2,3-dihydroxybenzoyl)oxy-2-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propanoic acid
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78440061ChemSpider