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CHEBI:83201 - desferrialbomycin ε

ChEBI IDCHEBI:83201
ChEBI Namedesferrialbomycin ε
Stars
ASCII Namedesferrialbomycin epsilon
DefinitionA member of the class of desferrialbomycins that is desferrialbomycin δ1 in which the oxo group at position 4 of the pyrimidone moiety is replaced by an imino group. The iron(III) complex of desferrialbomycin ε is the antibiotic albomycin ε.
Last Modified1 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H59N11O17S
Net Charge0
Average Mass949.995
Monoisotopic Mass949.38111
SMILES[H][C@]1([C@@H](O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)O)S[C@@]([H])(n2ccc(=N)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C36H59N11O17S/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/h11,15,20-23,25-29,34,38,48,52-54,62-64H,5-10,12-14,16,37H2,1-4H3,(H,39,55)(H,40,56)(H,41,57)(H,42,58)(H,59,60)/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1
InChIKeyFUYMILUSQAKDKG-RREKCFDTSA-N
Roles Classification
Chemical Roles:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
ChEBI Ontology
Outgoing Relation(s)
desferrialbomycin ε (CHEBI:83201) is a desferrialbomycins (CHEBI:83198)
desferrialbomycin ε (CHEBI:83201) is conjugate acid of desferrialbomycin ε(3−) (CHEBI:83216)
Incoming Relation(s)
desferrialbomycin ε(3−) (CHEBI:83216) is conjugate base of desferrialbomycin ε (CHEBI:83201)
IUPAC Name 
N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-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
Synonym  Source
deferrialbomycin εChEBI
Registry NumbersSources
Reaxys:5230031Reaxys