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CHEBI:206443 - Fimsbactin C

ChEBI IDCHEBI:206443
ChEBI NameFimsbactin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N4O11
Net Charge0
Average Mass602.597
Monoisotopic Mass602.22241
SMILESCC(=O)N(O)CCCCNC(=O)[C@@H](NC(=O)[C@H]1N=C(c2cccc(O)c2O)O[C@@H]1C)[C@@H](C)OC(=O)c1cccc(O)c1O
InChIInChI=1S/C28H34N4O11/c1-14-22(31-27(42-14)17-8-6-10-19(34)23(17)36)26(39)30-21(25(38)29-12-4-5-13-32(41)16(3)33)15(2)43-28(40)18-9-7-11-20(35)24(18)37/h6-11,14-15,21-22,34-37,41H,4-5,12-13H2,1-3H3,(H,29,38)(H,30,39)/t14-,15-,21+,22+/m1/s1
InChIKeyRUWXGLOMCAWQQD-SDVFQCAASA-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 C (CHEBI:206443) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(2R,3S)-4-[4-[acetyl(hydroxy)amino]butylamino]-3-[[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-4-oxobutan-2-yl] 2,3-dihydroxybenzoate
Manual XrefsDatabases
78440337ChemSpider