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CHEBI:131538 - N-docosanoyl-14-methylhexadecasphingosine

ChEBI IDCHEBI:131538
ChEBI NameN-docosanoyl-14-methylhexadecasphingosine
Stars
ASCII NameN-docosanoyl-14-methylhexadecasphingosine
DefinitionA ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified15 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC39H77NO3
Net Charge0
Average Mass608.049
Monoisotopic Mass607.59035
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChIInChI=1S/C39H77NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-22-21-23-26-29-32-36(3)5-2/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t36?,37-,38+/m0/s1
InChIKeyWHOQLMXMWKNQQT-RLKRFJBVSA-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-14-methylhexadecasphingosine (CHEBI:131538) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
N-docosanoyl-14-methylhexadecasphingosine (CHEBI:131538) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-14-methylhexadecasphingosine (CHEBI:131538) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-docosanoyl-14-methylhexadecasphingosine (CHEBI:131538) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]docosanamide
Synonyms  Source
Cer 39:1;3ChEBI
Cer (d17:1;3/22:0)ChEBI
N-docosanoyl-14-methylhexadecasphing-4-enineChEBI
Citations