ferric-enterobactin complex

Chemical Formula:

C₃₀H₂₁N₃O₁₅FE

Molecular Weight:

719.354 Daltons

Monoisotopic Mass:

719.0322091211999 Daltons

SMILES:

C5(OC(C4(NC(C8(C9(O[Fe---]237(OC6(C(=C(C(NC(C(=O)OCC(NC(=O)C1(C(=C(C=CC=1)O2)O3))C(=O)OC4)5)=O)C=CC=6)O7))OC(C=CC=8)=9)))=O))=O)

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

Synonyms

ferric enterobactin
ferric enterochelin
ferrienterochelin
ferrienterobactin

Databases

MetaCyc: FERRIC-ENTEROBACTIN-COMPLEX

PubChem (CID): 91819751 16048613 16069994

ChEBI: 28199

ChemSpider: 389783

KEGG: C06230

RefMet: Fe-Enterobactin

MetaNetX: MNXM163385