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CHEBI:47333 - CARBOXYMYCOBACTIN T

Default Structure
ChEBI IDCHEBI:47333
ChEBI NameCARBOXYMYCOBACTIN T
Stars
DownloadsMolfile
FormulaC35H49FeN5O12
Net Charge0
Average Mass787.645
Monoisotopic Mass787.27271
SMILES[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])/C([H])=C(/[H])[C@]1([H])[O][Fe@OH25]23[O]c4c([H])c([H])c([H])c([H])c4[C@]4([H])OC([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])C([H])([H])C(=O)N([H])[C@]5([H])C(=O)N([O]2)C([H])([H])C([H])([H])C([H])([H])C5([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1[O]3)N4[H]
InChIInChI=1S/C35H50N5O12.Fe/c41-28-16-8-7-13-24(28)33-38-27(23-52-33)32(46)37-26(35(48)51-22-19-29(42)36-25-14-9-12-21-40(50)34(25)47)15-10-11-20-39(49)30(43)17-5-3-1-2-4-6-18-31(44)45;/h5,7-8,13,16-17,25-27,30,33,38,41H,1-4,6,9-12,14-15,18-23H2,(H,36,42)(H,37,46)(H,44,45);/q-3;+4/p-1/b17-5-;/t25-,26-,27-,30-,33-;/m0./s1
InChIKeyGJJULHJRORAZCG-VUVIVAPCSA-M
ChEBI Ontology
Outgoing Relation(s)
CARBOXYMYCOBACTIN T (CHEBI:47333) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(8Z,10S)-10-(hydroxy-kappaO)-10-[(hydroxy-kappaO){(5S)-6-(3-{[(3S)-1-(hydroxy-kappaO)-2-oxoazepan-3-yl]amino}-3-oxopropoxy)-5-[({(2S,4S)-2-[2-(hydroxy-kappaO)phenyl]-1,3-oxazolidin-4-yl}carbonyl)amino]-6-oxohexyl}amino]dec-8-enoato(4-)]ironPDBeChem
CARBOXYMYCOBACTIN TPDBeChem
Manual XrefsDatabases
CM2PDBeChem