Enterobactin

CAS Registry Number®

28384-96-5
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CAS Name

Enterobactin

Molecular Formula

C30H27N3O15

Molecular Mass

669.55

Cite this Page

Enterobactin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=28384-96-5 (retrieved 2024-04-18) (CAS RN: 28384-96-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1

InChIKey

InChIKey=SERBHKJMVBATSJ-BZSNNMDCSA-N

SMILES

C(N[C@@H]1C(=O)OC[C@H](NC(=O)C2=C(O)C(O)=CC=C2)C(=O)OC[C@H](NC(=O)C3=C(O)C(O)=CC=C3)C(=O)OC1)(=O)C4=C(O)C(O)=CC=C4

Canonical SMILES

O=C1OCC(NC(=O)C=2C=CC=C(O)C2O)C(=O)OCC(NC(=O)C=3C=CC=C(O)C3O)C(=O)OCC1NC(=O)C=4C=CC=C(O)C4O

Other Names for this Substance

  • Benzamide, N,N′,N′′-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxy-
  • o-Pyrocatechuamide, N,N′,N′′-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris-
  • Benzamide, N,N′,N′′-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy-, [3S-(3R*,7R*,11R*)]-
  • 1,5,9-Trioxacyclododecane, benzamide deriv.
  • N,N′,N′′-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxybenzamide]

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Deleted or Replaced CAS Registry Numbers

30567-79-4, 33189-71-8

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