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CHEBI:142779 - Fe(III)-petrobactin(1−)

Default Structure
ChEBI IDCHEBI:142779
ChEBI NameFe(III)-petrobactin(1−)
Stars
ASCII NameFe(III)-petrobactin(1-)
DefinitionMajor species at pH 7.3. See https://pdb101.rcsb.org/learn/structural-biology-highlights/anthrax-stealth-siderophores for structure
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H46FeN6O11
Net Charge-1
Average Mass770.618
Monoisotopic Mass770.25794
SMILESO=C1CC23CC(=O)NCCCC[NH2+]CCCNC(=O)c4ccc5c(c4)[O][Fe-3]4([O]C2=O)([O]c2ccc(cc2[O]4)C(=O)NCCC[NH2+]CCCCN1)([O]5)[O]3
InChIInChI=1S/C34H49N6O11.Fe/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24;/h7-10,19-20,35-36,41-44H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50);/q-1;+3/p-3
InChIKeyVRORXMMKFLMYSM-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
Fe(III)-petrobactin(1−) (CHEBI:142779) is a iron coordination entity (CHEBI:33892)
UniProt Name  Source
Fe(III)-petrobactinUniProt