Fe3+-[monoglucosyl-(2,3-dihydroxybenzoylserine)3] complex

Fe<sup>3+</sup>-[monoglucosyl-(2,3-dihydroxybenzoylserine)<sub>3</sub>] complex




Chemical Formula:
C36H32N3O21FE
Molecular Weight:
898.503 Daltons
Monoisotopic Mass:
899.095597239 Daltons
SMILES:
C(O)C9(OC(C4(C=C6(O[Fe---]1257(OC8(C=CC=C(C(=O)NC(CO)C(OCC(NC(=O)C3(=CC=CC(O1)=C(O2)3))C(OCC(NC(=O)C(C=4)=C(O5)6)C([O-])=O)=O)=O)C(O7)=8)))))C(O)C(O)C(O)9)
InChI:
1S/C36H39N3O21.Fe/c40-9-17(37-31(51)14-3-1-5-20(42)24(14)45)35(56)59-12-19(39-32(52)15-4-2-6-21(43)25(15)46)36(57)58-11-18(34(54)55)38-33(53)16-7-13(8-22(44)26(16)47)30-29(50)28(49)27(48)23(10-41)60-30;/h1-8,17-19,23,27-30,40-50H,9-12H2,(H,37,51)(H,38,53)(H,39,52)(H,54,55);/q;+3/p-7/t17-,18-,19-,23+,27+,28-,29+,30-;/m0./s1
InChIKey:
RMPVXFYPPIKQLJ-LNWNQGHSSA-G

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

Databases
MetaCyc:  CPD-21611
ChEBI:  143774
PubChem (CID):  135398057