EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:76077 - 1-O-palmitoyl-N-acetylsphingosine

ChEBI IDCHEBI:76077
ChEBI Name1-O-palmitoyl-N-acetylsphingosine
Stars
ASCII Name1-O-palmitoyl-N-acetylsphingosine
DefinitionA 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and palmitoyl (hexadecanoyl) respectively.
Last Modified14 January 2020
Submitterlaimo
DownloadsMolfile
FormulaC36H69NO4
Net Charge0
Average Mass579.951
Monoisotopic Mass579.52266
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCCCCCCCCCCCCCC)NC(C)=O
InChIInChI=1S/C36H69NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(39)34(37-33(3)38)32-41-36(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h28,30,34-35,39H,4-27,29,31-32H2,1-3H3,(H,37,38)/b30-28+/t34-,35+/m0/s1
InChIKeyYHEINVWEQIWYCT-LQSBSTQLSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-palmitoyl-N-acetylsphingosine (CHEBI:76077) has functional parent N-acetylsphingosine (CHEBI:46979)
1-O-palmitoyl-N-acetylsphingosine (CHEBI:76077) has functional parent hexadecanoic acid (CHEBI:15756)
1-O-palmitoyl-N-acetylsphingosine (CHEBI:76077) is a 1-O-acyl-N-acetylsphingosine (CHEBI:84483)
IUPAC Name 
(2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl hexadecanoate
Synonyms  Source
1-16:0-NASSUBMITTER
1-palmitoyl-N-acetylsphingosineChEBI
1-O-hexadecanoyl-N-acetylsphingosineChEBI
(2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl palmitateIUPAC
UniProt Name  Source
1-hexadecanoyl-N-(acetyl)-sphing-4-enineUniProt