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CHEBI:72759 - N-(pentadecanoyl)sphinganine-1-phosphocholine

ChEBI IDCHEBI:72759
ChEBI NameN-(pentadecanoyl)sphinganine-1-phosphocholine
Stars
ASCII NameN-(pentadecanoyl)sphinganine-1-phosphocholine
DefinitionA N-acylsphinganine-1-phosphocholine in which the acyl group is pentadecanoyl.
Last Modified25 February 2015
Submitterabridge
DownloadsMolfile
FormulaC38H79N2O6P
Net Charge0
Average Mass691.032
Monoisotopic Mass690.56757
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H79N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h36-37,41H,6-35H2,1-5H3,(H-,39,42,43,44)/t36-,37+/m0/s1
InChIKeyMOOVXYQLXUAUJU-PQQNNWGCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(pentadecanoyl)sphinganine-1-phosphocholine (CHEBI:72759) has functional parent pentadecanoic acid (CHEBI:42504)
N-(pentadecanoyl)sphinganine-1-phosphocholine (CHEBI:72759) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(pentadecanoylamino)octadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d18:0/15:0)SUBMITTER
N-(pentadecanoyl)dihydrosphingosine-1-phosphocholineChEBI
Manual XrefsDatabases
LMSP03010091LIPID MAPS