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CHEBI:204125 - Fimsbactin A

ChEBI IDCHEBI:204125
ChEBI NameFimsbactin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N4O11
Net Charge0
Average Mass574.543
Monoisotopic Mass574.19111
SMILESCC(=O)N(O)CCCCNC(=O)[C@H](COC(=O)c1cccc(O)c1O)NC(=O)[C@@H]1COC(c2cccc(O)c2O)=N1
InChIInChI=1S/C26H30N4O11/c1-14(31)30(39)11-3-2-10-27-23(36)17(13-41-26(38)16-7-5-9-20(33)22(16)35)28-24(37)18-12-40-25(29-18)15-6-4-8-19(32)21(15)34/h4-9,17-18,32-35,39H,2-3,10-13H2,1H3,(H,27,36)(H,28,37)/t17-,18-/m0/s1
InChIKeyGUYAPGULLNBOCI-ROUUACIJSA-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 A (CHEBI:204125) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(2S)-3-[4-[acetyl(hydroxy)amino]butylamino]-2-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate
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78440182ChemSpider