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CHEBI:131542 - N-tricosanoyl-14-methylhexadecasphingosine

Default Structure
ChEBI IDCHEBI:131542
ChEBI NameN-tricosanoyl-14-methylhexadecasphingosine
Stars
ASCII NameN-tricosanoyl-14-methylhexadecasphingosine
DefinitionA ceramide obtained by formal condensation of the carboxy group of tricosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified30 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC40H79NO3
Net Charge0
Average Mass622.076
Monoisotopic Mass621.60600
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChIInChI=1S/C40H79NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-40(44)41-38(36-42)39(43)34-31-28-25-23-22-24-27-30-33-37(3)5-2/h31,34,37-39,42-43H,4-30,32-33,35-36H2,1-3H3,(H,41,44)/b34-31+/t37?,38-,39+/m0/s1
InChIKeyHEHDEKNNWUZWMV-GNRKIYGESA-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-tricosanoyl-14-methylhexadecasphingosine (CHEBI:131542) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
N-tricosanoyl-14-methylhexadecasphingosine (CHEBI:131542) has functional parent tricosanoic acid (CHEBI:42394)
N-tricosanoyl-14-methylhexadecasphingosine (CHEBI:131542) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-tricosanoyl-14-methylhexadecasphingosine (CHEBI:131542) is a Cer(d40:1) (CHEBI:137571)
N-tricosanoyl-14-methylhexadecasphingosine (CHEBI:131542) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]tricosanamide
Synonyms  Source
Cer 40:1;3ChEBI
Cer (d17:1;3/23:0)ChEBI
N-tricosanoyl-14-methylhexadecasphing-4-enineChEBI
Citations