EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131550 - N-docosanoyl-14-methylhexadecasphinganine

ChEBI IDCHEBI:131550
ChEBI NameN-docosanoyl-14-methylhexadecasphinganine
Stars
ASCII NameN-docosanoyl-14-methylhexadecasphinganine
DefinitionA ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphinganine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified25 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC39H79NO3
Net Charge0
Average Mass610.065
Monoisotopic Mass609.60600
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C39H79NO3/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/h36-38,41-42H,4-35H2,1-3H3,(H,40,43)/t36?,37-,38+/m0/s1
InChIKeyPXJCCYYXAUUXRF-GGJINPDOSA-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-methylhexadecasphinganine (CHEBI:131550) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-14-methylhexadecasphinganine (CHEBI:131550) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-docosanoyl-14-methylhexadecasphinganine (CHEBI:131550) is a dihydroceramide (CHEBI:139048)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxy-14-methylhexadecan-2-yl]docosanamide
Synonyms  Source
Cer 39:0;3ChEBI
Cer (d17:0;3/22:0)ChEBI
Citations