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CHEBI:61152 - desferriexochelin 772MS

ChEBI IDCHEBI:61152
ChEBI Namedesferriexochelin 772MS
Stars
DefinitionA carboxylic ester-lactam secreted by Mycobacterium tuberculosis which is both lipid- and water-soluble and acts as a siderophore.
Last Modified11 March 2015
SubmitterR. Stephan
DownloadsMolfile
FormulaC34H49N5O12
Net Charge0
Average Mass719.789
Monoisotopic Mass719.33777
SMILESCOC(=O)CCCCCC(=O)N(O)CCCCC(NC(=O)C1COC(c2ccccc2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O
InChIInChI=1S/C34H49N5O12/c1-22(20-28(41)35-24-13-8-11-19-39(48)33(24)45)51-34(46)25(14-9-10-18-38(47)29(42)16-4-3-5-17-30(43)49-2)36-31(44)26-21-50-32(37-26)23-12-6-7-15-27(23)40/h6-7,12,15,22,24-26,40,47-48H,3-5,8-11,13-14,16-21H2,1-2H3,(H,35,41)(H,36,44)
InChIKeyCICZEXPNYSZNEI-UHFFFAOYSA-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)
desferriexochelin 772MS (CHEBI:61152) has role siderophore (CHEBI:26672)
desferriexochelin 772MS (CHEBI:61152) is a 1,3-oxazoles (CHEBI:46812)
desferriexochelin 772MS (CHEBI:61152) is a cyclic hydroxamic acid (CHEBI:23445)
desferriexochelin 772MS (CHEBI:61152) is a lactam (CHEBI:24995)
desferriexochelin 772MS (CHEBI:61152) is a methyl ester (CHEBI:25248)
Incoming Relation(s)
exochelin 772SM (CHEBI:61167) has functional parent desferriexochelin 772MS (CHEBI:61152)
IUPAC Name 
methyl 7-{hydroxy[6-({4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl}oxy)-5-({[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-7-oxoheptanoate
Synonym  Source
desferri-exochelin 772MSChEBI
Manual XrefsDatabases
US5786326Patent
Citations