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

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ChEBI Name N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine
ChEBI ID CHEBI:133171
ChEBI ASCII Name N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine
Definition An N-acylhexadecasphingosine-1-phosphocholine in which the ceramide N-acyl group is specified as hexadecanoyl (palmitoyl).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H75N2O6P
Net Charge 0
Average Mass 674.976
Monoisotopic Mass 674.53628
InChI InChI=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
InChIKey RPTUKVYGSPDHGQ-PSALXKTOSA-N
SMILES C(CCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via sphingomyelin 32:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
N-(hexadecanoyl)-C16-sphingosine-1-phosphocholine ChEBI
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphocholine LIPID MAPS
N-(palmitoyl)-C16-sphingosine-1-phosphocholine ChEBI
N-(palmitoyl)hexadecasphingosine-1-phosphocholine ChEBI
SM(d16:1/16:0) LIPID MAPS
sphingomyelin (d16:1/16:0) ChEBI
Manual Xref Database
LMSP03010035 LIPID MAPS
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Last Modified
26 August 2016