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CHEBI:71383 - N-pentacosanoyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71383
ChEBI NameN-pentacosanoyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-pentacosanoyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 25 carbons and 0 double bonds.
Last Modified30 June 2017
SubmitterAlan Bridge
DownloadsMolfile
FormulaC42H83NO3
Net Charge0
Average Mass650.130
Monoisotopic Mass649.63730
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C42H83NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-42(46)43-40(38-44)41(45)36-33-30-27-24-22-23-26-29-32-35-39(2)3/h33,36,39-41,44-45H,4-32,34-35,37-38H2,1-3H3,(H,43,46)/b36-33+/t40-,41+/m0/s1
InChIKeyXPHMRRRAQQSFAN-LLEHJKNRSA-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-pentacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71383) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-pentacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71383) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-pentacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71383) is a N-acyl-15-methylhexadecasphing-4-enine (CHEBI:70846)
N-pentacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71383) is a Cer(d42:1) (CHEBI:85777)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]pentacosanamide
Synonyms  Source
15-methyl-N-pentacosanoylhexadecasphing-4-enineChEBI
Cer 42:1;2ChEBI
Cer (d17:1;2/25:0)ChEBI
Citations