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CHEBI:131547 - N-pentacosanoyl-14-methylhexadecasphinganine

ChEBI IDCHEBI:131547
ChEBI NameN-pentacosanoyl-14-methylhexadecasphinganine
Stars
ASCII NameN-pentacosanoyl-14-methylhexadecasphinganine
DefinitionA dihydroceramide obtained by formal condensation of the carboxy group of pentacosanoic acid with the amino group of 14-methylhexadecasphinganine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified25 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC42H85NO3
Net Charge0
Average Mass652.146
Monoisotopic Mass651.65295
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C42H85NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-42(46)43-40(38-44)41(45)36-33-30-27-25-24-26-29-32-35-39(3)5-2/h39-41,44-45H,4-38H2,1-3H3,(H,43,46)/t39?,40-,41+/m0/s1
InChIKeyWAJIHIOIIDMFCX-XRCKYFATSA-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-14-methylhexadecasphinganine (CHEBI:131547) has functional parent pentacosanoic acid (CHEBI:39420)
N-pentacosanoyl-14-methylhexadecasphinganine (CHEBI:131547) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-pentacosanoyl-14-methylhexadecasphinganine (CHEBI:131547) is a dihydroceramide (CHEBI:139048)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxy-14-methylhexadecan-2-yl]pentacosanamide
Synonyms  Source
Cer (d17:0;3/25:0)ChEBI
Cer 42:0;3ChEBI
Citations