Fe3+-[monoglucosyl-enterobactin] complex

Fe<sup>3+</sup>-[monoglucosyl-enterobactin] complex




Chemical Formula:
C36H31N3O20FE
Molecular Weight:
881.496 Daltons
Monoisotopic Mass:
881.0850325526999 Daltons
SMILES:
C(O)C%10(OC(C8(C=C6(C9(O[Fe---]245(OC1(C=CC=C(C=1O2)C(=O)NC7(COC(C(NC(C3(C=CC=C(C=3O4)O5))=O)COC(C(NC6=O)COC(=O)7)=O)=O)))(OC(C=8)=9)))))C(O)C(O)C(O)%10)
InChI:
1S/C36H37N3O20.Fe/c40-9-23-27(47)28(48)29(49)30(59-23)13-7-16(26(46)22(43)8-13)33(52)39-19-12-58-35(54)17(37-31(50)14-3-1-5-20(41)24(14)44)10-56-34(53)18(11-57-36(19)55)38-32(51)15-4-2-6-21(42)25(15)45;/h1-8,17-19,23,27-30,40-49H,9-12H2,(H,37,50)(H,38,51)(H,39,52);/q;+3/p-6/t17-,18-,19-,23+,27+,28-,29+,30-;/m0./s1
InChIKey:
UJGYDVQMCBVHLD-LNWNQGHSSA-H

Synonyms
  • ferric-MGE

Databases
MetaCyc:  CPD-21610
ChEBI:  143772
PubChem (CID):  135398093