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CHEBI:136272 - N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:136272
ChEBI NameN-(heptadecanoyl)hexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-(heptadecanoyl)hexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin 33:1 obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of hexadecasphingosine-1-phosphocholine.
Last Modified1 November 2017
Submittermwilliams
DownloadsMolfile
FormulaC38H77N2O6P
Net Charge0
Average Mass689.016
Monoisotopic Mass688.55192
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-38(42)39-36(35-46-47(43,44)45-34-33-40(3,4)5)37(41)31-29-27-25-23-21-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1
InChIKeyCGMZWBZSOINWHL-YPDYIYJKSA-N
Species of MetaboliteComponentSourceComments
Papio hamadryas (ncbitaxon:9557) - MetaboLights (MTBLS426)
Roles Classification
Biological Roles:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
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-(heptadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136272) has functional parent heptadecanoic acid (CHEBI:32365)
N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136272) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136272) has role Papio hamadryas metabolite (CHEBI:137684)
N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136272) is a sphingomyelin 33:1 (CHEBI:64585)
IUPAC Name 
(2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxyhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d16:1/17:0)ChEBI
sphingomyelin d16:1/17:0ChEBI
N-(heptadecanoyl)hexadecasphing-4-enine-1-phosphocholineChEBI
Manual XrefsDatabases
LMSP03010037LIPID MAPS