EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31606 - Ferrotrenine

ChEBI IDCHEBI:31606
ChEBI NameFerrotrenine
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C6H10NO3.Fe.2H2O
Net Charge0
Average Mass380.175
Monoisotopic Mass380.08820
SMILESC/C=N/C(C(=O)[O-])C(C)O.C/C=N/C(C(=O)[O-])C(C)O.O.O.[Fe+2]
InChIInChI=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+;;;
InChIKeyIWQQNDAAVPMDJR-UOOQWULYSA-L
ChEBI Ontology
Outgoing Relation(s)
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
FerrotrenineKEGG COMPOUND
Manual XrefsDatabases
D01623KEGG DRUG
Registry NumbersSources
CAS:15339-50-1KEGG COMPOUND