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CHEBI:85285 - N-(11Z)-icosenoylsphinganine

ChEBI IDCHEBI:85285
ChEBI NameN-(11Z)-icosenoylsphinganine
Stars
ASCII NameN-(11Z)-icosenoylsphinganine
DefinitionAn N-icosenoylsphinganine in which the double bond is located at position 11 (the Z-geoisomer).
Last Modified30 June 2017
Submitterlaimo
DownloadsMolfile
FormulaC38H75NO3
Net Charge0
Average Mass594.022
Monoisotopic Mass593.57470
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37+/m0/s1
InChIKeyPULBITQLTXYVQX-FMECKOKGSA-N
Roles Classification
Biological Roles:
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-(11Z)-icosenoylsphinganine (CHEBI:85285) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
N-(11Z)-icosenoylsphinganine (CHEBI:85285) is a N-icosenoylsphinganine (CHEBI:85200)
N-(11Z)-icosenoylsphinganine (CHEBI:85285) is a Cer(d38:1) (CHEBI:137570)
IUPAC Name 
(11Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide
Synonyms  Source
Cer(d18:0/20:1n-9)SUBMITTER
C20:1n-9 DHCerSUBMITTER
N-gondoyldihydrosphingosineChEBI
N-(11Z)-eicosenoylsphinganineChEBI
N-(11Z)-icosenoyldihydrosphingosineChEBI
N-(11Z)-eicosenoyldihydrosphingosineChEBI
UniProt Name  Source
N-(11Z-eicosenoyl)-sphinganineUniProt