EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:74178 - N-docosanoyl-15-methylhexadecasphinganine

ChEBI IDCHEBI:74178
ChEBI NameN-docosanoyl-15-methylhexadecasphinganine
Stars
ASCII NameN-docosanoyl-15-methylhexadecasphinganine
DefinitionA N-acyl-15-methylhexadecasphinganine in which the acyl group has 22 carbons and 0 double bonds.
Last Modified4 April 2014
Submitterabridge
DownloadsMolfile
FormulaC39H79NO3
Net Charge0
Average Mass610.065
Monoisotopic Mass609.60600
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C39H79NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h36-38,41-42H,4-35H2,1-3H3,(H,40,43)/t37-,38+/m0/s1
InChIKeyHCXNRGLMSHTQGH-QPPIDDCLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyl-15-methylhexadecasphinganine (CHEBI:74178) is a N-acyl-15-methylhexadecasphinganine (CHEBI:70845)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxy-15-methylhexadecan-2-yl]docosanamide
Synonym  Source
N-docosanoyl-15-methylhexadecadihydrosphingosineSUBMITTER