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CHEBI:134550 - N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine

ChEBI IDCHEBI:134550
ChEBI NameN-docosanoyl-(4E,14Z)-sphinga-4,14-dienine
Stars
ASCII NameN-docosanoyl-(4E,14Z)-sphinga-4,14-dienine
DefinitionA ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine.
Last Modified6 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC40H77NO3
Net Charge0
Average Mass620.060
Monoisotopic Mass619.59035
SMILESCCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,38-39,42-43H,3-7,9,11-32,34,36-37H2,1-2H3,(H,41,44)/b10-8-,35-33+/t38-,39+/m0/s1
InChIKeyHILTUFAERVOALR-MQXYEJFFSA-N
Species of MetaboliteComponentSourceComments
Papio hamadryas (ncbitaxon:9557) - MetaboLights (MTBLS426)
Roles Classification
Biological Role:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) has role Papio hamadryas metabolite (CHEBI:137684)
N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]docosanamide
Synonyms  Source
ceramide (d18:2/22:0)ChEBI
Cer(d18:2/22:0)LIPID MAPS
N-behenoyl-(4E,14Z)-sphinga-4,14-dienineChEBI
N-(docosanoyl)-4E,14Z-sphingadienineLIPID MAPS
Manual XrefsDatabases
LMSP02010029LIPID MAPS