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CHEBI:78254 - N-hexanoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:78254
ChEBI NameN-hexanoylsphingosine-1-phosphocholine
Stars
ASCII NameN-hexanoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin in which the ceramide N-acyl group is specified as hexanoyl.
Last Modified11 July 2014
Submitternhn
DownloadsMolfile
FormulaC29H59N2O6P
Net Charge0
Average Mass562.773
Monoisotopic Mass562.41107
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC
InChIInChI=1S/C29H59N2O6P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-28(32)27(30-29(33)23-20-9-7-2)26-37-38(34,35)36-25-24-31(3,4)5/h21-22,27-28,32H,6-20,23-26H2,1-5H3,(H-,30,33,34,35)/b22-21+/t27-,28+/m0/s1
InChIKeyAHZZHULAOVWYNO-RRKDMDGFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-hexanoylsphingosine-1-phosphocholine (CHEBI:78254) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylsphingosine-1-phosphocholine (CHEBI:78254) is a sphingomyelin (CHEBI:64583)
Incoming Relation(s)
N-hexanoyl-sphingosine-1,3-cyclophosphate(1−) (CHEBI:143883) has functional parent N-hexanoylsphingosine-1-phosphocholine (CHEBI:78254)
Synonyms  Source
N-hexanoylsphing-4-enine-1-phosphocholineChEBI
C6-sphingomyelinChEBI
N-hexanoylsphingomyelinChEBI
SM(d18:1/6:0)ChEBI
UniProt Name  Source
N-hexanoyl-sphing-4-enine-1-phosphocholineUniProt
Registry NumbersSources
Reaxys:18539759Reaxys
Citations