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CHEBI:83214 - desferrialbomycin δ2(3−)

ChEBI IDCHEBI:83214
ChEBI Namedesferrialbomycin δ2(3−)
Stars
ASCII Namedesferrialbomycin delta2(3-)
DefinitionA hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin δ2.
Last Modified1 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H57N12O18S
Net Charge-3
Average Mass989.996
Monoisotopic Mass989.36509
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(=NC(N)=O)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C37H57N12O18S/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/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1
InChIKeyCTCDBDIFZIEELW-RREKCFDTSA-N
ChEBI Ontology
Outgoing Relation(s)
desferrialbomycin δ2(3−) (CHEBI:83214) is a hydroxamic acid anion (CHEBI:24648)
desferrialbomycin δ2(3−) (CHEBI:83214) is conjugate base of desferrialbomycin δ2 (CHEBI:83200)
Incoming Relation(s)
albomycin δ2 (CHEBI:83215) has part desferrialbomycin δ2(3−) (CHEBI:83214)
desferrialbomycin δ2 (CHEBI:83200) is conjugate acid of desferrialbomycin δ2(3−) (CHEBI:83214)
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)-5-[4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrothiophen-2-yl}-D-serine
Synonym  Source
deferrialbomycin δ2(3−)ChEBI