EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:143826 - N-[12-[(7-Nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-ceramide

ChEBI IDCHEBI:143826
ChEBI NameN-[12-[(7-Nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-ceramide
Stars
SubmitterCeri
DownloadsMolfile
FormulaC36H61N5O6
Net Charge0
Average Mass659.913
Monoisotopic Mass659.46218
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C36H61N5O6/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/h21,24,26-27,31,33,37,42-43H,2-20,22-23,25,28-29H2,1H3,(H,38,44)/b24-21+/t31-,33+/m0/s1
InChIKeySNOJCYCOPNIGIK-ULETYAGTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[12-[(7-Nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-ceramide (CHEBI:143826) is a ceramide (CHEBI:17761)
N-[12-[(7-Nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-ceramide (CHEBI:143826) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide
Synonym  Source
C12-NBD CeramideSUBMITTER
Registry NumbersSources
CAS:202850-01-9SUBMITTER