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CHEBI:177848 - 1,12-Dihydroxy-1,6,12,17-tetraazacyclodocosane-2,5,13,16-tetrone

ChEBI IDCHEBI:177848
ChEBI Name1,12-Dihydroxy-1,6,12,17-tetraazacyclodocosane-2,5,13,16-tetrone
Stars
Last Modified14 March 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32N4O6
Net Charge0
Average Mass400.476
Monoisotopic Mass400.23218
SMILESO=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1
InChIInChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)
InChIKeyGTADQMQBQBOJIO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
1,12-Dihydroxy-1,6,12,17-tetraazacyclodocosane-2,5,13,16-tetrone (CHEBI:177848) is a azamacrocycle (CHEBI:52898)
1,12-Dihydroxy-1,6,12,17-tetraazacyclodocosane-2,5,13,16-tetrone (CHEBI:177848) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1,12-dihydroxy-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone
UniProt Name  Source
bisucaberinUniProt
Manual XrefsDatabases
118134ChemSpider
Registry NumbersSources
CAS:112972-60-8ChemIDplus