Term: | corynebactin |
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Accession: | CHEBI:31432
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Definition: | A crown compound that is enterobactin in which the pro-R hydrogens at positions 2, 6 and 10 of the trilactone backbone are replaced by methyl groups, and in which a glycine spacer separates the trilactone backbone from each of the catecholamide arms. It is the endogenous siderophore of Bacillus subtilis, used for the acquisition of iron. |
Synonyms: | exact_synonym: | N,N',N''-{[(2R,3S,6R,7S,10R,11S)-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[imino(2-oxoethane-2,1-diyl)]}tris(2,3-dihydroxybenzamide) |
| related_synonym: | 2,3-dihydroxybenzoate-glycine-threonine trimeric ester; Bacillibactin; Formula=C39H42N6O18; InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1; InChIKey=RCQTVEFBFUNTGM-BDVHUIKKSA-N; SMILES=C[C@H]1OC(=O)[C@@H](NC(=O)CNC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)[C@@H](NC(=O)CNC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)[C@H]1NC(=O)CNC(=O)c1cccc(O)c1O |
| xref: | CAS:95536-41-7; KEGG:C12219; MetaCyc:CPD-9984; PMID:11112781; PMID:11890782; PMID:12377042; PMID:16390102; PMID:17012385; PMID:19673474; PMID:19816776; PMID:21673962; PMID:22514641; PMID:25237888; Reaxys:10414456; Wikipedia:Bacillibactin |
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