CHEBI:142778 - petrobactin(1+)

ChEBI IDCHEBI:142778
ChEBI Namepetrobactin(1+)
Stars
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H51N6O11
Net Charge+1
Average Mass719.813
Monoisotopic Mass719.36103
SMILESO=C(CC(O)(CC(=O)NCCC[NH2+]CCCCNC(=O)c1ccc(O)c(O)c1)C(=O)[O-])NCCC[NH2+]CCCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-15-3-1-11-35-13-5-17-37-29(45)21-34(51,33(49)50)22-30(46)38-18-6-14-36-12-2-4-16-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)/p+1
InChIKeySESZZOOISCLDTE-UHFFFAOYSA-O
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)
petrobactin(1+) (CHEBI:142778) has role siderophore (CHEBI:26672)
petrobactin(1+) (CHEBI:142778) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
petrobactinUniProt
Manual XrefsDatabases
CPD-9985MetaCyc
C22273KEGG COMPOUND
Citations