Fe3+-[salmochelin S1] complex

Fe<sup>3+</sup>-[salmochelin S1] complex




Chemical Formula:
C26H25N2O16FE
Molecular Weight:
677.334 Daltons
Monoisotopic Mass:
678.0631748986 Daltons
SMILES:
C(O)C6(OC(C2(C=C1(O[Fe-]34(OC1=C(C=2)C(=O)NC(COC(=O)C(CO)NC(=O)C5(C=CC=C(O3)C(O4)=5))C([O-])=O))))C(O)C(O)C(O)6)
InChI:
1S/C26H30N2O16.Fe/c29-6-12(27-23(38)10-2-1-3-14(31)17(10)33)26(42)43-8-13(25(40)41)28-24(39)11-4-9(5-15(32)18(11)34)22-21(37)20(36)19(35)16(7-30)44-22;/h1-5,12-13,16,19-22,29-37H,6-8H2,(H,27,38)(H,28,39)(H,40,41);/q;+3/p-5/t12-,13-,16+,19+,20-,21+,22-;/m0./s1
InChIKey:
TZDNYZWVPMIXNW-GKECYKDFSA-I

Synonyms
  • Fe3+-{O-3-[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-deoxyglucosyl-2,3-dihydroxybenzoyl)-L-serine} complex

Databases
MetaCyc:  CPD-21609
ChEBI:  143775
PubChem (CID):  135398071