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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[12-[(7-Nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoyl]-ceramide
ChEBI ID CHEBI:143826
Stars This entity has been manually annotated by a third party.
Submitter Ceri
Supplier Information
Download Molfile XML SDF
Formula C36H61N5O6
Net Charge 0
Average Mass 659.913
Monoisotopic Mass 659.46218
InChI InChI=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
InChIKey SNOJCYCOPNIGIK-ULETYAGTSA-N
SMILES O[C@@H]([C@@H](NC(=O)CCCCCCCCCCCNC=1C2=NON=C2C([N+]([O-])=O)=CC1)CO)\C=C\CCCCCCCCCCCCC
ChEBI Ontology
Outgoing 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 Ceramide SUBMITTER
Registry Number Type Source
202850-01-9 CAS Registry Number SUBMITTER