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CHEBI:83215 - albomycin δ2

ChEBI IDCHEBI:83215
ChEBI Namealbomycin δ2
Stars
ASCII Namealbomycin delta2
DefinitionAn iron(III) hydroxamate in which desferrialbomycin δ2(3−) is complexed to iron(III).
Last Modified2 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H57FeN12O18S
Net Charge0
Average Mass1045.841
Monoisotopic Mass1045.29839
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(=NC(N)=O)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+;/m0./s1
InChIKeyRQZRKFJHRUDTLB-IDJYBIRTSA-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 δ2 (CHEBI:83215) has part desferrialbomycin δ2(3−) (CHEBI:83214)
albomycin δ2 (CHEBI:83215) has role antibacterial agent (CHEBI:33282)
albomycin δ2 (CHEBI:83215) has role antimicrobial agent (CHEBI:33281)
albomycin δ2 (CHEBI:83215) has role bacterial metabolite (CHEBI:76969)
albomycin δ2 (CHEBI:83215) is a iron(III) hydroxamate (CHEBI:28163)
Incoming Relation(s)
albomycin (CHEBI:83207) has part albomycin δ2 (CHEBI:83215)
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)-5-[4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrothiophen-2-yl}-D-serine
Synonyms  Source
albomycin δ(2)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)-5-[4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrothiophen-2-yl}-D-serinato(3−)]ironIUPAC
Citations