CHEBI:31606 - Ferrotrenine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ferrotrenine
ChEBI ID CHEBI:31606
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C6H10NO3.2H2O.Fe
C12H24FeN2O8
Net Charge 0
Average Mass 380.173
Monoisotopic Mass 380.08820
InChI InChI=1S/2C6H11NO3.Fe.2H2O/c2*1-3-7-5(4(2)8)6(9)10;;;/h2*3-5,8H,1-2H3,(H,9,10);;2*1H2/q;;+2;;/p-2/b2*7-3+;;;
InChIKey IWQQNDAAVPMDJR-UOOQWULYSA-L
SMILES O.O.C/C=N/C(C(=O)[O-])C(C)O.[Fe+2].C/C=N/C(C(=O)[O-])C(C)O
ChEBI Ontology
Outgoing Ferrotrenine (CHEBI:31606) has functional parent α-amino acid (CHEBI:33704)
Ferrotrenine (CHEBI:31606) is a organonitrogen compound (CHEBI:35352)
Ferrotrenine (CHEBI:31606) is a organooxygen compound (CHEBI:36963)
Synonym Source
Ferrotrenine KEGG COMPOUND
Manual Xref Database
D01623 KEGG DRUG
View more database links
Registry Number Type Source
15339-50-1 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017