CHEBI:199856 - Fimsbactin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fimsbactin E
ChEBI ID CHEBI:199856
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18N2O10
Net Charge 0
Average Mass 446.368
Monoisotopic Mass 446.09614
InChI InChI=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
InChIKey COTAVYXDLPLEBS-RYUDHWBXSA-N
SMILES O=C(OC[C@H](NC(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)OC1)C(=O)O)C3=C(O)C(O)=CC=C3
Metabolite of Species Details
Acinetobacter baumannii ATCC 17978 (NCBI:txid400667) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78440061 ChemSpider
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