Fe3+-[salmochelin S2] complex

Fe<sup>3+</sup>-[salmochelin S2] complex




Chemical Formula:
C42H42N3O26FE
Molecular Weight:
1060.645 Daltons
Monoisotopic Mass:
1061.1484206705 Daltons
SMILES:
C(O)C%10(OC(C5(C=C7(O[Fe---]2368(OC9(C=CC=C(C(=O)NC(CO)C(OCC(NC(=O)C4(=CC(C1(OC(CO)C(O)C(O)C(O)1))=CC(O2)=C(O3)4))C(OCC(NC(=O)C(C=5)=C(O6)7)C([O-])=O)=O)=O)C(O8)=9)))))C(O)C(O)C(O)%10)
InChI:
1S/C42H49N3O26.Fe/c46-8-18(43-37(61)15-2-1-3-21(49)26(15)52)41(66)69-12-20(45-39(63)17-5-14(7-23(51)28(17)54)36-34(60)32(58)30(56)25(10-48)71-36)42(67)68-11-19(40(64)65)44-38(62)16-4-13(6-22(50)27(16)53)35-33(59)31(57)29(55)24(9-47)70-35;/h1-7,18-20,24-25,29-36,46-60H,8-12H2,(H,43,61)(H,44,62)(H,45,63)(H,64,65);/q;+3/p-7/t18-,19-,20-,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-;/m0./s1
InChIKey:
TVPDLHGLFXAKQV-GYQOYKAHSA-G

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

Databases
MetaCyc:  CPD-21607
ChEBI:  143773
PubChem (CID):  135397909