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CHEBI:47061 - PYOCHELIN FE(III)

Default Structure
ChEBI IDCHEBI:47061
ChEBI NamePYOCHELIN FE(III)
Stars
DownloadsMolfile
FormulaC14H14FeN2O3S2
Net Charge0
Average Mass378.256
Monoisotopic Mass377.97952
SMILES[H]c1c([H])c([H])c2c(c1[H])[O][Fe@TB4]13[O]C(=O)[C@]4([H])C([H])([H])S[C@]([H])([C@]5([H])[N]1=C2SC5([H])[H])[N@@]43C([H])([H])[H]
InChIInChI=1S/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17;/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19);/q;+2/p-2/t9-,10+,13-;/m1./s1
InChIKeyZSCWPMBACNZOHT-CLNWDJMDSA-L
ChEBI Ontology
Outgoing Relation(s)
PYOCHELIN FE(III) (CHEBI:47061) is a unclassifieds (CHEBI:27189)
Synonym  Source
PYOCHELIN FE(III)PDBeChem
Manual XrefsDatabases
188PDBeChem