EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:71373 - N-icosanoyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71373
ChEBI NameN-icosanoyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-icosanoyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 20 carbons and 0 double bonds.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC37H73NO3
Net Charge0
Average Mass579.995
Monoisotopic Mass579.55905
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C37H73NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-37(41)38-35(33-39)36(40)31-28-25-22-19-17-18-21-24-27-30-34(2)3/h28,31,34-36,39-40H,4-27,29-30,32-33H2,1-3H3,(H,38,41)/b31-28+/t35-,36+/m0/s1
InChIKeyYZGXLGWMBKIXSM-RMDSOLTBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-icosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71373) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-icosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71373) is a N-acyl-15-methylhexadecasphing-4-enine (CHEBI:70846)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]icosanamide
Synonym  Source
N-eicosanoyl-15-methylhexadecasphing-4-enineChEBI