Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Ferric enterobactin ion
RN: 61481-53-6
UNII: AF1D66MEGV
InChIKey: NGILTSZTOFYVBF-UVJOBNTFSA-H

Molecular Formula

  • C30-H21-N3-O15.Fe

Molecular Weight

  • 719.3469
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ferric enterobactin ion

Synonyms

  • Ferrate(3-), ((N,N',N''-((3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-di(hydroxy-kappaO)benzamidato))(6-))-, (OC-6-22-a)-
  • Ferric enterobactin
  • Ferric enterobactin ion
  • Ferric enterobactin [MI]
  • Ferrienterobactin
  • Ferrienterochelin
  • UNII-AF1D66MEGV

Registry Numbers

CAS Registry Number

  • 61481-53-6

FDA UNII

  • AF1D66MEGV

System Generated Number

  • 0061481536

Structure Descriptors

InChI

InChI=1S/C30H27N3O15.Fe/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);/q;+3/p-6/t16-,17-,18-;/m0./s1

InChIKey

NGILTSZTOFYVBF-UVJOBNTFSA-H

Smiles

[Fe+3].[O-]c1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc([O-])c3[O-])NC(=O)c4cccc([O-])c4[O-])c1[O-]