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CHEBI:228441 - C-12 NBD-dihydro-ceramide

ChEBI IDCHEBI:228441
ChEBI NameC-12 NBD-dihydro-ceramide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63N5O6
Net Charge0
Average Mass661.929
Monoisotopic Mass661.47783
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C36H63N5O6/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-33(43)31(29-42)38-34(44)25-22-19-16-13-11-14-17-20-23-28-37-30-26-27-32(41(45)46)36-35(30)39-47-40-36/h26-27,31,33,37,42-43H,2-25,28-29H2,1H3,(H,38,44)/t31-,33+/m0/s1
InChIKeySTPDREBSVHTICB-CQTOTRCISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
C-12 NBD-dihydro-ceramide (CHEBI:228441) is a benzoxadiazole (CHEBI:46829)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide
Manual XrefsDatabases
22906218ChemSpider