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CHEBI:83204 - desferrialbomycin δ1(3−)

ChEBI IDCHEBI:83204
ChEBI Namedesferrialbomycin δ1(3−)
Stars
ASCII Namedesferrialbomycin delta1(3-)
DefinitionA hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin δ1.
Last Modified1 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H55N10O18S
Net Charge-3
Average Mass947.955
Monoisotopic Mass947.34330
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(=O)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C36H55N10O18S/c1-17(48)44(62)12-5-8-20(37)30(55)38-21(9-6-13-45(63)18(2)49)31(56)39-22(10-7-14-46(64)19(3)50)32(57)40-23(16-47)33(58)41-25(35(59)60)26(52)29-27(53)28(54)34(65-29)43-15-11-24(51)42(4)36(43)61/h11,15,20-23,25-29,34,47,52-54H,5-10,12-14,16,37H2,1-4H3,(H,38,55)(H,39,56)(H,40,57)(H,41,58)(H,59,60)/q-3/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1
InChIKeyQLMQZEPZVZOSKM-RREKCFDTSA-N
ChEBI Ontology
Outgoing Relation(s)
desferrialbomycin δ1(3−) (CHEBI:83204) is a hydroxamic acid anion (CHEBI:24648)
desferrialbomycin δ1(3−) (CHEBI:83204) is conjugate base of desferrialbomycin δ1 (CHEBI:83199)
Incoming Relation(s)
albomycin δ1 (CHEBI:83206) has part desferrialbomycin δ1(3−) (CHEBI:83204)
desferrialbomycin δ1 (CHEBI:83199) is conjugate acid of desferrialbomycin δ1(3−) (CHEBI:83204)
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-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrothiophen-2-yl]-D-serine
Synonym  Source
deferrialbomycin δ1(3−)ChEBI