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CHEBI:133171 - N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:133171
ChEBI NameN-(hexadecanoyl)hexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-(hexadecanoyl)hexadecasphingosine-1-phosphocholine
DefinitionAn N-acylhexadecasphingosine-1-phosphocholine in which the ceramide N-acyl group is specified as hexadecanoyl (palmitoyl).
Last Modified26 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC37H75N2O6P
Net Charge0
Average Mass674.989
Monoisotopic Mass674.53627
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-37(41)38-35(34-45-46(42,43)44-33-32-39(3,4)5)36(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/b30-28+/t35-,36+/m0/s1
InChIKeyRPTUKVYGSPDHGQ-PSALXKTOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:133171) has functional parent hexadecanoic acid (CHEBI:15756)
N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:133171) is a N-acylhexadecasphingosine-1-phosphocholine (CHEBI:82896)
N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:133171) is a sphingomyelin 32:1 (CHEBI:64586)
IUPAC Name 
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d16:1/16:0)LIPID MAPS
N-(palmitoyl)-C16-sphingosine-1-phosphocholineChEBI
sphingomyelin (d16:1/16:0)ChEBI
N-(hexadecanoyl)-C16-sphingosine-1-phosphocholineChEBI
N-(palmitoyl)hexadecasphingosine-1-phosphocholineChEBI
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphocholineLIPID MAPS
Manual XrefsDatabases
LMSP03010035LIPID MAPS