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CHEBI:71377 - N-docosanoyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71377
ChEBI NameN-docosanoyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-docosanoyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 22 carbons and 0 double bonds.
Last Modified14 April 2016
SubmitterAlan Bridge
DownloadsMolfile
FormulaC39H77NO3
Net Charge0
Average Mass608.049
Monoisotopic Mass607.59035
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C39H77NO3/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/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1
InChIKeyXMCZTIGIXKXPGG-KNEGYRQWSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23894595)
Roles Classification
Biological Role:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71377) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-docosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71377) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71377) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-docosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71377) 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]docosanamide
Synonyms  Source
Cer 39:1;2ChEBI
Cer (d17:1;2/22:0)ChEBI
Citations