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CHEBI:71369 - N-octadecanoyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71369
ChEBI NameN-octadecanoyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-octadecanoyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 18 carbons and 0 double bonds.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC35H69NO3
Net Charge0
Average Mass551.941
Monoisotopic Mass551.52775
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C35H69NO3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-35(39)36-33(31-37)34(38)29-26-23-20-17-15-16-19-22-25-28-32(2)3/h26,29,32-34,37-38H,4-25,27-28,30-31H2,1-3H3,(H,36,39)/b29-26+/t33-,34+/m0/s1
InChIKeyXEEHNVKBTOVJMU-DRCNTAKHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-octadecanoyl-15-methylhexadecasphing-4-enine (CHEBI:71369) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-octadecanoyl-15-methylhexadecasphing-4-enine (CHEBI:71369) 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]octadecanamide