CHEBI:58396 - aerobactinate(3−)

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ChEBI Name aerobactinate(3−) ChEBI ID CHEBI:58396 ChEBI ASCII Name aerobactinate(3-) Definition A tricarboxylate arising from deprotonation of the three carboxylic acid groups of aerobactin; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H33N4O13 Net Charge -3 Average Mass 561.51640 Monoisotopic Mass 561.20606 InChI InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/p-3/t15-,16-/m0/s1 InChIKey KDHHWXGBNUCREU-HOTGVXAUSA-K SMILES CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C([O-])=O)C([O-])=O)C([O-])=O ChEBI Ontology Outgoing aerobactinate(3−) (CHEBI:58396) is a tricarboxylic acid trianion (CHEBI:27092) aerobactinate(3−) (CHEBI:58396) is conjugate base of aerobactin (CHEBI:18157) Incoming aerobactin (CHEBI:18157) is conjugate acid of aerobactinate(3−) (CHEBI:58396) IUPAC Name N2,N2'-(3-carboxylato-3-hydroxypentanedioyl)bis(N6-acetyl-N6-hydroxy-L-lysinate) Synonyms Sources (8S,16S)-3,12,21-trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylate ChEBI aerobactin UniProt aerobactinate trianion ChEBI Last Modified 06 January 2011