enterobactin

Chemical Formula:

C₃₀H₂₇N₃O₁₅

Molecular Weight:

669.554 Daltons

Monoisotopic Mass:

669.1442172138001 Daltons

SMILES:

C2(C(NC(=O)C1(C(O)=C(O)C=CC=1))C(OCC(C(OCC(C(=O)O2)NC(=O)C3(C(O)=C(O)C=CC=3))=O)NC(=O)C4(C=CC=C(O)C(O)=4))=O)

InChI:

1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1

InChIKey:

SERBHKJMVBATSJ-BZSNNMDCSA-N

Synonyms

(2,3-dihydroxybenzoylserine)₃
enterochelin

Databases

MetaCyc: ENTEROBACTIN

BiGG: enter

PubChem (CID): 34231

MetaboLights: MTBLC28855

HMDB: HMDB32199

ChemSpider: 672

ChEBI: 28855

KEGG: C05821

Reactome: 1222366

Seed: cpd03453

MetaNetX: MNXM883