ferric-[N-(2,3-dihydroxybenzoyl)-L-serine trimer] complex

Chemical Formula:

C₃₀H₂₂N₃O₁₆FE

Molecular Weight:

736.361 Daltons

Monoisotopic Mass:

737.0427738075 Daltons

SMILES:

C(O)C5(NC(C1(C=CC=C2(C=1O[Fe---]468(O2)(OC3(C=CC=C(C=3O4)C(=O)NC(COC(=O)5)C(=O)OCC(C([O-])=O)NC(C7(C(O6)=C(C=CC=7)O8))=O)))))=O)

InChI:

1S/C30H29N3O16.Fe/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39;/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45);/q;+3/p-7/t16-,17-,18-;/m0./s1

InChIKey:

QNAUHHROLOGFEY-UVJOBNTFSA-G

Synonyms

hydrolyzed ferric enterobactin complex
ferric (2,3-dihydroxybenzoylserine)₃
ferric N-(2,3-dihydroxybenzoyl)-L-serine trimer

Databases

MetaCyc: CPD0-2482

PubChem (CID): 90658283 134820260

MetaNetX: MNXM11550

ChEBI: 143011