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CHEBI:131543 - N-icosanoyl-14-methylhexadecasphinganine

ChEBI IDCHEBI:131543
ChEBI NameN-icosanoyl-14-methylhexadecasphinganine
Stars
ASCII NameN-icosanoyl-14-methylhexadecasphinganine
DefinitionA ceramide obtained by formal condensation of the carboxy group of icosanoic acid with the amino group of 14-methylhexadecasphinganine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified25 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC37H75NO3
Net Charge0
Average Mass582.011
Monoisotopic Mass581.57470
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C37H75NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-37(41)38-35(33-39)36(40)31-28-25-22-20-19-21-24-27-30-34(3)5-2/h34-36,39-40H,4-33H2,1-3H3,(H,38,41)/t34?,35-,36+/m0/s1
InChIKeyUYANNPYVALYQBS-CIDCSGNASA-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-icosanoyl-14-methylhexadecasphinganine (CHEBI:131543) has functional parent icosanoic acid (CHEBI:28822)
N-icosanoyl-14-methylhexadecasphinganine (CHEBI:131543) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-icosanoyl-14-methylhexadecasphinganine (CHEBI:131543) is a dihydroceramide (CHEBI:139048)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxy-14-methylhexadecan-2-yl]icosanamide
Synonyms  Source
N-eicosanoyl-14-methylhexadecasphinganineChEBI
Cer 37:0;3ChEBI
N-icosanoyl-14-methylhexadecasphing-4-enineChEBI
N-eicosanoyl-14-methylhexadecasphing-4-enineChEBI
Cer (d17:0;3/20:0)ChEBI
Citations