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CHEBI:74181 - N-pentacosanoyl-15-methylhexadecasphinganine

ChEBI IDCHEBI:74181
ChEBI NameN-pentacosanoyl-15-methylhexadecasphinganine
Stars
ASCII NameN-pentacosanoyl-15-methylhexadecasphinganine
DefinitionA N-acyl-15-methylhexadecasphinganine in which the acyl group has 25 carbons and 0 double bonds.
Last Modified15 March 2016
Submitterabridge
DownloadsMolfile
FormulaC42H85NO3
Net Charge0
Average Mass652.146
Monoisotopic Mass651.65295
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C42H85NO3/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/h39-41,44-45H,4-38H2,1-3H3,(H,43,46)/t40-,41+/m0/s1
InChIKeyBRLYJWHJWIUCIO-WVILEFPPSA-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-methylhexadecasphinganine (CHEBI:74181) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-pentacosanoyl-15-methylhexadecasphinganine (CHEBI:74181) is a N-acyl-15-methylhexadecasphinganine (CHEBI:70845)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxy-15-methylhexadecan-2-yl]pentacosanamide
Synonyms  Source
N-pentacosanoyl-15-methylhexadecadihydrosphingosineSUBMITTER
Cer (17:0;2/25:0)ChEBI
Cer 42:0;2ChEBI
Citations