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CHEBI:83127 - desferricoprogen(3−)

ChEBI IDCHEBI:83127
ChEBI Namedesferricoprogen(3−)
Stars
ASCII Namedesferricoprogen(3-)
DefinitionA hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen.
Last Modified2 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC35H53N6O13
Net Charge-3
Average Mass765.838
Monoisotopic Mass765.36871
SMILES[H][C@@]1(CCCN([O-])C(=O)/C=C(\C)CCO)NC(=O)[C@]([H])(CCCN([O-])C(=O)/C=C(\C)CCOC(=O)[C@H](CCCN([O-])C(=O)/C=C(\C)CCO)NC(C)=O)NC1=O
InChIInChI=1S/C35H53N6O13/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48)/q-3/b23-20+,24-21+,25-22+/t27-,28-,29-/m0/s1
InChIKeyRZRCLBALGCDKCQ-FCRFISLRSA-N
Roles Classification
Chemical Role:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
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)
desferricoprogen(3−) (CHEBI:83127) has role siderophore (CHEBI:26672)
desferricoprogen(3−) (CHEBI:83127) is a hydroxamic acid anion (CHEBI:24648)
desferricoprogen(3−) (CHEBI:83127) is conjugate base of desferricoprogen (CHEBI:83125)
Incoming Relation(s)
coprogen (CHEBI:83101) has part desferricoprogen(3−) (CHEBI:83127)
desferricoprogen (CHEBI:83125) is conjugate acid of desferricoprogen(3−) (CHEBI:83127)
IUPAC Name 
(3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-methylpent-2-enoyl](oxido)amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}(oxido)amino]-3-methyl-5-oxopent-3-en-1-yl N2-acetyl-N5-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-N5-oxido-L-ornithinate