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CHEBI:38150 - enterobactin(6−)

ChEBI IDCHEBI:38150
ChEBI Nameenterobactin(6−)
Stars
ASCII Nameenterobactin(6-)
Last Modified1 February 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC30H21N3O15
Net Charge-6
Average Mass663.504
Monoisotopic Mass663.10056
SMILESO=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc([O-])c2[O-])COC(=O)[C@@H](NC(=O)c2cccc([O-])c2[O-])COC1=O)c1cccc([O-])c1[O-]
InChIInChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/p-6/t16-,17-,18-/m0/s1
InChIKeySERBHKJMVBATSJ-BZSNNMDCSA-H
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)
enterobactin(6−) (CHEBI:38150) has role siderophore (CHEBI:26672)
enterobactin(6−) (CHEBI:38150) is a phenolate anion (CHEBI:50525)
enterobactin(6−) (CHEBI:38150) is conjugate base of enterobactin (CHEBI:28855)
Incoming Relation(s)
Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−) (CHEBI:143772) has functional parent enterobactin(6−) (CHEBI:38150)
Fe(III)-di(C-5-deoxy-β-D-glucosyl)-enterobactin(3−) (CHEBI:143771) has functional parent enterobactin(6−) (CHEBI:38150)
ferrienterobactin(3−) (CHEBI:28199) has part enterobactin(6−) (CHEBI:38150)
enterobactin (CHEBI:28855) is conjugate acid of enterobactin(6−) (CHEBI:38150)
IUPAC Name 
3,3',3''-{[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(iminocarbonyl)}tribenzene-1,2-diolate
Synonym  Source
ent6−ChEBI
Registry NumbersSources
Gmelin:2491631Gmelin