Aerobactin

CAS Registry Number®

26198-65-2
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CAS Name

Aerobactin

Molecular Formula

C22H36N4O13

Molecular Mass

564.54

Cite this Page

Aerobactin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26198-65-2 (retrieved 2024-04-20) (CAS RN: 26198-65-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)/t15-,16-/m0/s1

InChIKey

InChIKey=KDHHWXGBNUCREU-HOTGVXAUSA-N

SMILES

C(CC(N[C@@H](CCCCN(C(C)=O)O)C(O)=O)=O)(CC(N[C@@H](CCCCN(C(C)=O)O)C(O)=O)=O)(C(O)=O)O

Canonical SMILES

O=C(O)C(NC(=O)CC(O)(C(=O)O)CC(=O)NC(C(=O)O)CCCCN(O)C(=O)C)CCCCN(O)C(=O)C

Other Names for this Substance

  • 3,9,15,21-Tetraazatricosane-8,12,16-tricarboxylic acid, 3,12,21-trihydroxy-2,10,14,22-tetraoxo-, (8S,16S)-
  • Lysine, N2,N2′-(3-carboxy-3-hydroxyglutaroyl)bis[N6-acetyl-N6-hydroxy-, L-
  • 3,9,15,21-Tetraazatricosane-8,12,16-tricarboxylic acid, 3,12,21-trihydroxy-2,10,14,22-tetraoxo-, [S-(R*,R*)]-
  • (8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid
  • Aerobactin

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