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CHEBI:131548 - N-pentacosanoyl-14-methylhexadecasphingosine

ChEBI IDCHEBI:131548
ChEBI NameN-pentacosanoyl-14-methylhexadecasphingosine
Stars
ASCII NameN-pentacosanoyl-14-methylhexadecasphingosine
DefinitionA ceramide obtained by formal condensation of the carboxy group of pentacosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified30 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC42H83NO3
Net Charge0
Average Mass650.130
Monoisotopic Mass649.63730
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChIInChI=1S/C42H83NO3/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/h33,36,39-41,44-45H,4-32,34-35,37-38H2,1-3H3,(H,43,46)/b36-33+/t39?,40-,41+/m0/s1
InChIKeyWZIDRQSTDHWOFE-APFDGTSBSA-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-methylhexadecasphingosine (CHEBI:131548) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
N-pentacosanoyl-14-methylhexadecasphingosine (CHEBI:131548) has functional parent pentacosanoic acid (CHEBI:39420)
N-pentacosanoyl-14-methylhexadecasphingosine (CHEBI:131548) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-pentacosanoyl-14-methylhexadecasphingosine (CHEBI:131548) is a Cer(d42:1) (CHEBI:85777)
N-pentacosanoyl-14-methylhexadecasphingosine (CHEBI:131548) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]pentacosanamide
Synonyms  Source
Cer (d17:1;3/25:0)ChEBI
N-pentacosanoyl-14-methylhexadecasphing-4-enineChEBI
Cer 42:1;3ChEBI
Citations