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CHEBI:83217 - albomycin ε

ChEBI IDCHEBI:83217
ChEBI Namealbomycin ε
Stars
ASCII Namealbomycin epsilon
DefinitionAn iron(III) hydroxamate in which desferrialbomycin ε(3−) is complexed to iron(III).
Last Modified2 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H56FeN11O17S
Net Charge0
Average Mass1002.816
Monoisotopic Mass1002.29257
SMILES[H][C@]1([C@@H](O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN(C(C)=O)[O][Fe]3[O]N(C(C)=O)CCC[C@H](NC(=O)[C@@H](N)CCCN(C(C)=O)[O]3)C(=O)N2)C(=O)O)S[C@@]([H])(n2ccc(=N)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C36H56N11O17S.Fe/c1-17(49)45(62)12-5-8-20(37)30(55)39-21(9-6-13-46(63)18(2)50)31(56)40-22(10-7-14-47(64)19(3)51)32(57)41-23(16-48)33(58)42-25(35(59)60)26(52)29-27(53)28(54)34(65-29)44-15-11-24(38)43(4)36(44)61;/h11,15,20-23,25-29,34,38,48,52-54H,5-10,12-14,16,37H2,1-4H3,(H,39,55)(H,40,56)(H,41,57)(H,42,58)(H,59,60);/q-3;+3/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+;/m0./s1
InChIKeyVQCJCCMAGPCDIK-DFBZBFILSA-N
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
albomycin ε (CHEBI:83217) has role antibacterial agent (CHEBI:33282)
albomycin ε (CHEBI:83217) has role antimicrobial agent (CHEBI:33281)
albomycin ε (CHEBI:83217) has role bacterial metabolite (CHEBI:76969)
albomycin ε (CHEBI:83217) is a iron(III) hydroxamate (CHEBI:28163)
Incoming Relation(s)
albomycin (CHEBI:83207) has part albomycin ε (CHEBI:83217)
IUPAC Name 
iron(3+) N5-acetyl-N5-oxido-L-ornithyl-N5-acetyl-N5-oxido-L-ornithyl-N5-acetyl-N5-oxido-L-ornithyl-L-seryl-(3S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(4-imino-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrothiophen-2-yl]-D-serine
Synonyms  Source
albomycin (ε)ChEBI
[N5-acetyl-N5-(hydroxy-κO)-L-ornithyl-N5-acetyl-N5-(hydroxy-κO)-L-ornithyl-N5-acetyl-N5-(hydroxy-κO)-L-ornithyl-L-seryl-(3S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(4-imino-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrothiophen-2-yl]-D-serinato(3−)]ironIUPAC