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CHEBI:205088 - Fimsbactin B

ChEBI IDCHEBI:205088
ChEBI NameFimsbactin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32N4O11
Net Charge0
Average Mass588.570
Monoisotopic Mass588.20676
SMILESCC(=O)N(O)CCCCNC(=O)[C@H](COC(=O)c1cccc(O)c1O)NC(=O)[C@H]1N=C(c2cccc(O)c2O)O[C@@H]1C
InChIInChI=1S/C27H32N4O11/c1-14-21(30-26(42-14)16-7-5-9-19(33)22(16)35)25(38)29-18(24(37)28-11-3-4-12-31(40)15(2)32)13-41-27(39)17-8-6-10-20(34)23(17)36/h5-10,14,18,21,33-36,40H,3-4,11-13H2,1-2H3,(H,28,37)(H,29,38)/t14-,18+,21+/m1/s1
InChIKeyUEUUKYCTOZDARB-IBZMOEQTSA-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 B (CHEBI:205088) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(2S)-3-[4-[acetyl(hydroxy)amino]butylamino]-2-[[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate
Manual XrefsDatabases
78440211ChemSpider