Fe3+-[diglucosyl-enterobactin] complex

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




Chemical Formula:
C42H41N3O25FE
Molecular Weight:
1043.638 Daltons
Monoisotopic Mass:
1043.1378559842 Daltons
SMILES:
C(O)C%11(OC(C1(C=C9(C2(=C(C=1)O[Fe---]478(O2)(OC5(C=C(C3(OC(CO)C(O)C(O)C(O)3))C=C(C(O4)=5)C(NC%10(C(OCC(NC(C6(C=CC=C(C=6O7)O8))=O)C(=O)OCC(NC(=O)9)C(=O)OC%10)=O))=O))))))C(O)C(O)C(O)%11)
InChI:
1S/C42H47N3O25.Fe/c46-8-24-29(54)31(56)33(58)35(69-24)13-4-16(27(52)22(49)6-13)38(61)44-19-11-67-40(63)18(43-37(60)15-2-1-3-21(48)26(15)51)10-66-41(64)20(12-68-42(19)65)45-39(62)17-5-14(7-23(50)28(17)53)36-34(59)32(57)30(55)25(9-47)70-36;/h1-7,18-20,24-25,29-36,46-59H,8-12H2,(H,43,60)(H,44,61)(H,45,62);/q;+3/p-6/t18-,19-,20-,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-;/m0./s1
InChIKey:
GDDKOOSAVSOPQR-GYQOYKAHSA-H

Synonyms
  • ferric DGE

Databases
MetaCyc:  CPD-21591
ChEBI:  143771
PubChem (CID):  135398045