EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:136461 - N-octadecanoyl-(4E,14Z)-sphingadienine

ChEBI IDCHEBI:136461
ChEBI NameN-octadecanoyl-(4E,14Z)-sphingadienine
Stars
ASCII NameN-octadecanoyl-(4E,14Z)-sphingadienine
DefinitionA N-acyl-(4E,14Z)-sphingadienine in which the N-acyl group is specified as octadecanoyl.
Last Modified4 May 2020
Submittermwilliams
DownloadsMolfile
FormulaC36H69NO3
Net Charge0
Average Mass563.952
Monoisotopic Mass563.52775
SMILESCCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h8,10,29,31,34-35,38-39H,3-7,9,11-28,30,32-33H2,1-2H3,(H,37,40)/b10-8-,31-29+/t34-,35+/m0/s1
InChIKeyLBBFOWQGVUEADU-PLAFRHTASA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239)
- PubMed (28278196)
- MetaboLights (MTBLS291)
Roles Classification
Biological Role:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
N-octadecanoyl-(4E,14Z)-sphingadienine (CHEBI:136461) has functional parent octadecanoic acid (CHEBI:28842)
N-octadecanoyl-(4E,14Z)-sphingadienine (CHEBI:136461) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-octadecanoyl-(4E,14Z)-sphingadienine (CHEBI:136461) is a N-acyl-(4E,14Z)-sphingadienine (CHEBI:139573)
N-octadecanoyl-(4E,14Z)-sphingadienine (CHEBI:136461) is a N-stearoyl-sphingoid base (CHEBI:144711)
IUPAC Name 
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]octadecanamide
Synonyms  Source
Cer(d18:2/18:0)ChEBI
N-octadecanoyl-4E,14Z-sphingadienineChEBI
N-octadecanoyl-(4E,14Z)-sphinga-4,14-dienineChEBI
N-stearoyl-(4E,14Z)-sphingadienineChEBI
N-stearoyl-4E,14Z-sphingadienineChEBI
N-stearoyl-(4E,14Z)-sphinga-4,14-dienineChEBI
UniProt Name  Source
N-octadecanoyl-sphinga-4E,14Z-dienineUniProt