ferrichrome A
Chemical Formula:
C41H58N9O20FE
Molecular Weight:
1052.804 Daltons
Monoisotopic Mass:
1055.3382275469 Daltons
SMILES:
CC(=CC(N(CCCC1(NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN(C(C=C(CC([O-])=O)C)=O)O)NC(=O)C(CCCN(C(C=C(CC([O-])=O)C)=O)O)NC(=O)1))O)=O)CC([O-])=O.[Fe+++]
InChI:
1S/C41H61N9O20.Fe/c1-22(16-34(57)58)13-31(54)48(68)10-4-7-25-38(64)44-26(8-5-11-49(69)32(55)14-23(2)17-35(59)60)39(65)45-27(9-6-12-50(70)33(56)15-24(3)18-36(61)62)40(66)47-29(21-52)41(67)46-28(20-51)37(63)42-19-30(53)43-25;/h13-15,25-29,51-52,68-70H,4-12,16-21H2,1-3H3,(H,42,63)(H,43,53)(H,44,64)(H,45,65)(H,46,67)(H,47,66)(H,57,58)(H,59,60)(H,61,62);/q;+3/p-3/b22-13-,23-14+,24-15-;
InChIKey:
Databases
MetaCyc:
CPD-17185
PubChem (CID):
91819948
ChemSpider:
4952558
MetaNetX:
MNXM149042