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CHEBI:224432 - Fimsbactin D

ChEBI IDCHEBI:224432
ChEBI NameFimsbactin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28N4O10
Net Charge0
Average Mass544.517
Monoisotopic Mass544.18054
SMILESCC(=O)NCCCNC(=O)[C@H](COC(=O)c1cccc(O)c1O)NC(=O)[C@@H]1COC(c2cccc(O)c2O)=N1
InChIInChI=1S/C25H28N4O10/c1-13(30)26-9-4-10-27-22(35)16(12-39-25(37)15-6-3-8-19(32)21(15)34)28-23(36)17-11-38-24(29-17)14-5-2-7-18(31)20(14)33/h2-3,5-8,16-17,31-34H,4,9-12H2,1H3,(H,26,30)(H,27,35)(H,28,36)/t16-,17-/m0/s1
InChIKeyAIGALQWZVLEUFI-IRXDYDNUSA-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 D (CHEBI:224432) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(2S)-3-(3-acetamidopropylamino)-2-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate
Manual XrefsDatabases
78440304ChemSpider