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CHEBI:34862 - N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine

ChEBI IDCHEBI:34862
ChEBI NameN-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine
Stars
ASCII NameN-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine
DefinitionAn N-acylsphingosine in which the ceramide N-acyl group is specified as 30-[(9Z,12Z)-octadeca-9,12-dienoyloxy]triacontanoyl.
Last Modified11 September 2019
DownloadsMolfile
FormulaC66H125NO5
Net Charge0
Average Mass1012.728
Monoisotopic Mass1011.95578
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-66(71)72-61-57-53-49-45-41-37-33-30-28-26-24-22-20-18-19-21-23-25-27-29-32-35-39-43-47-51-55-59-65(70)67-63(62-68)64(69)58-54-50-46-42-38-34-16-14-12-10-8-6-4-2/h11,13,17,31,54,58,63-64,68-69H,3-10,12,14-16,18-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b13-11-,31-17-,58-54+/t63-,64+/m0/s1
InChIKeyCJKGLEVYDCRGBX-FQYIUYQHSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine (CHEBI:34862) is a N-(ω-linoleoyloxy-ultra-long chain fatty acyl)sphingosine (CHEBI:157662)
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine (CHEBI:34862) is a N-acylsphingosine (CHEBI:52639)
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine (CHEBI:34862) is a ω-linoleoyloxy-O-ultra-long chain acylceramide (CHEBI:144785)
IUPAC Name 
30-{[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]amino}-30-oxotriacontyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enineKEGG COMPOUND
ceramide eosChemIDplus
N-[30-(9Z,12Z-octadecadienoyloxy)triacontanoyl]-4-sphingenineChEBI
UniProt Name  Source
N-[30-(9Z,12Z-octadecadienoyloxy)-triacontanoyl]-sphing-4-enineUniProt
Manual XrefsDatabases
C13918KEGG COMPOUND
LMSP02040001LIPID MAPS
CPD-22000MetaCyc
Registry NumbersSources
CAS:156170-27-3ChemIDplus
Citations