EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215219 - Desferrioxamine X4

ChEBI IDCHEBI:215219
ChEBI NameDesferrioxamine X4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52N6O9
Net Charge0
Average Mass628.768
Monoisotopic Mass628.37958
SMILESO=C1CCC(=O)N(O)CCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCCN1
InChIInChI=1S/C29H52N6O9/c36-24-12-15-27(39)33(42)21-9-3-2-7-19-31-25(37)13-17-29(41)35(44)23-11-5-8-20-32-26(38)14-16-28(40)34(43)22-10-4-1-6-18-30-24/h42-44H,1-23H2,(H,30,36)(H,31,37)(H,32,38)
InChIKeyDFQGKQCNOQAMHG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/ja00032a043)
ChEBI Ontology
Outgoing Relation(s)
Desferrioxamine X4 (CHEBI:215219) is a azamacrocycle (CHEBI:52898)
Desferrioxamine X4 (CHEBI:215219) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1,12,24-trihydroxy-1,6,12,17,24,29-hexazacyclopentatriacontane-2,5,13,16,25,28-hexone
Manual XrefsDatabases
78434866ChemSpider