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CHEBI:61168 - desferrimycobactin T

ChEBI IDCHEBI:61168
ChEBI Namedesferrimycobactin T
Stars
DefinitionA cyclic hydroxamic acid secreted by Mycobacterium tuberculosis which is lipid-soluble and acts as a siderophore.
Last Modified29 January 2014
SubmitterR. Stephan
DownloadsMolfile
FormulaC46H75N5O10
Net Charge0
Average Mass858.131
Monoisotopic Mass857.55139
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O
InChIInChI=1S/C46H75N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56/h20-21,26,29,35,37-39,52,58-59H,3-19,22-25,27-28,30-34H2,1-2H3,(H,47,53)(H,48,55)/t35-,37+,38+,39+/m1/s1
InChIKeyFLJNVPAGIYBTDU-XWINOZFQSA-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)
desferrimycobactin T (CHEBI:61168) has role siderophore (CHEBI:26672)
desferrimycobactin T (CHEBI:61168) is a 1,3-oxazoles (CHEBI:46812)
desferrimycobactin T (CHEBI:61168) is a carboxylic ester (CHEBI:33308)
desferrimycobactin T (CHEBI:61168) is a cyclic hydroxamic acid (CHEBI:23445)
desferrimycobactin T (CHEBI:61168) is a lactam (CHEBI:24995)
Incoming Relation(s)
mycobactin T:iron (CHEBI:61174) has functional parent desferrimycobactin T (CHEBI:61168)
IUPAC Name 
(2R)-4-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-4-oxobutan-2-yl N6-hydroxy-N2-{[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-icosanoyl-L-lysinate
Synonym  Source
desferri-mycobactin TChEBI
Citations