aerobactin

Chemical Formula:

C₂₂H₃₃N₄O₁₃

Molecular Weight:

561.522 Daltons

Monoisotopic Mass:

564.2278872637 Daltons

SMILES:

CC(=O)N(CCCCC(NC(CC(O)(C(=O)[O-])CC(=O)NC(C(=O)[O-])CCCCN(C(C)=O)O)=O)C([O-])=O)O

InChI:

1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/p-3/t15-,16-/m0/s1

InChIKey:

KDHHWXGBNUCREU-HOTGVXAUSA-K

Synonyms

aerobactin minus Fe3

Databases

MetaCyc: AEROBACTIN

RefMet: Aerobactin

HMDB: HMDB04051

ChEBI: 58396

PubChem (CID): 25244827 123762

KEGG: C05554