CHEBI:142778 - petrobactin(1+)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name petrobactin(1+)
ChEBI ID CHEBI:142778
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
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Formula C34H51N6O11
Net Charge +1
Average Mass 719.812
Monoisotopic Mass 719.36103
InChI InChI=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
InChIKey SESZZOOISCLDTE-UHFFFAOYSA-O
SMILES C(=O)([O-])C(CC(=O)NCCC[NH2+]CCCCNC(C1=CC=C(C(=C1)O)O)=O)(CC(=O)NCCC[NH2+]CCCCNC(C2=CC=C(C(=C2)O)O)=O)O
Roles Classification
Chemical Role(s): siderophore
Any of low-molecular-mass iron(3)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
Biological Role(s): siderophore
Any of low-molecular-mass iron(3)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing petrobactin(1+) (CHEBI:142778) has role siderophore (CHEBI:26672)
petrobactin(1+) (CHEBI:142778) is a organic molecular entity (CHEBI:50860)
Synonym Source
petrobactin UniProt
Manual Xrefs Databases
C22273 KEGG COMPOUND accession
CPD-9985 MetaCyc accession
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Citations Waiting for Citations Types Sources
11792199 PubMed citation SUBMITTER
22408253 PubMed citation SUBMITTER
27425635 PubMed citation SUBMITTER