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CHEBI:83216 - desferrialbomycin ε(3−)

ChEBI IDCHEBI:83216
ChEBI Namedesferrialbomycin ε(3−)
Stars
ASCII Namedesferrialbomycin epsilon(3-)
DefinitionA hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin ε.
Last Modified1 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H56N11O17S
Net Charge-3
Average Mass946.971
Monoisotopic Mass946.35928
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/C36H56N11O17S/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/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1
InChIKeyVWLKERYKDXEGCX-RREKCFDTSA-N
ChEBI Ontology
Outgoing Relation(s)
desferrialbomycin ε(3−) (CHEBI:83216) is a hydroxamic acid anion (CHEBI:24648)
desferrialbomycin ε(3−) (CHEBI:83216) is conjugate base of desferrialbomycin ε (CHEBI:83201)
Incoming Relation(s)
desferrialbomycin ε (CHEBI:83201) is conjugate acid of desferrialbomycin ε(3−) (CHEBI:83216)
IUPAC Name 
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