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CHEBI:181218 - Dehydroxynocardamine

ChEBI IDCHEBI:181218
ChEBI NameDehydroxynocardamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48N6O8
Net Charge0
Average Mass584.715
Monoisotopic Mass584.35336
SMILESO=C1CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN1
InChIInChI=1S/C27H48N6O8/c34-22-10-11-23(35)29-18-6-2-8-20-32(40)27(39)15-13-25(37)31-19-7-3-9-21-33(41)26(38)14-12-24(36)30-17-5-1-4-16-28-22/h40-41H,1-21H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37)
InChIKeyABHHIGWFFMCQOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Dehydroxynocardamine (CHEBI:181218) is a azamacrocycle (CHEBI:52898)
Dehydroxynocardamine (CHEBI:181218) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone
Manual XrefsDatabases
9781484ChemSpider