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CHEBI:67042 - N-hexadecanoylsphinganine

ChEBI IDCHEBI:67042
ChEBI NameN-hexadecanoylsphinganine
Stars
ASCII NameN-hexadecanoylsphinganine
DefinitionA dihydroceramide in which the ceramide N-acyl group is specified as hexadecanoyl (palmitoyl).
Last Modified29 June 2017
SubmitterAlan Bridge
DownloadsMolfile
FormulaC34H69NO3
Net Charge0
Average Mass539.930
Monoisotopic Mass539.52775
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
InChIKeyGCGTXOVNNFGTPQ-JHOUSYSJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-hexadecanoylsphinganine (CHEBI:67042) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoylsphinganine (CHEBI:67042) has role mouse metabolite (CHEBI:75771)
N-hexadecanoylsphinganine (CHEBI:67042) is a N-acylsphinganine (CHEBI:31488)
N-hexadecanoylsphinganine (CHEBI:67042) is a N-palmitoyl-sphingoid base (CHEBI:144703)
N-hexadecanoylsphinganine (CHEBI:67042) is a Cer(d34:0) (CHEBI:137568)
Incoming Relation(s)
N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78654) has functional parent N-hexadecanoylsphinganine (CHEBI:67042)
Ins-1-P-Cer(d18:0/16:0)(1−) (CHEBI:72547) has functional parent N-hexadecanoylsphinganine (CHEBI:67042)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexadecanamide
Synonyms  Source
DHC-A 18:0/16:0SUBMITTER
Cer(d18:0/16:0)SUBMITTER
N-palmitoyldihydrosphingosineChEBI
N-hexadecanoyldihydroceramideChEBI
N-palmitoylsphinganineChEBI
N-hexadecanoyldihydrosphingosineChEBI
UniProt Name  Source
N-hexadecanoylsphinganineUniProt
Manual XrefsDatabases
LMSP02020001LIPID MAPS
HMDB0011760HMDB
EP0803242Patent
Registry NumbersSources
Reaxys:1717165Reaxys
Citations