CHEBI:52897 - sphingosylphosphocholine acid

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ChEBI Name sphingosylphosphocholine acid
ChEBI ID CHEBI:52897
Definition A cationic phosphosphingolipid consisting of sphingosine having a phosphocholine moiety attached to its primary hydroxyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H50N2O5P
Net Charge +1
Average Mass 465.635
Monoisotopic Mass 465.34519
InChI InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
InChIKey JLVSPVFPBBFMBE-HXSWCURESA-O
SMILES C([C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)OP(OCC[N+](C)(C)C)(=O)O
ChEBI Ontology
Outgoing sphingosylphosphocholine acid (CHEBI:52897) has functional parent sphingosine (CHEBI:16393)
sphingosylphosphocholine acid (CHEBI:52897) is a phosphocholines (CHEBI:36700)
sphingosylphosphocholine acid (CHEBI:52897) is a phosphosphingolipid (CHEBI:35786)
sphingosylphosphocholine acid (CHEBI:52897) is a quaternary ammonium ion (CHEBI:35267)
sphingosylphosphocholine acid (CHEBI:52897) is conjugate acid of sphingosine-1-phosphocholine (CHEBI:17689)
sphingosylphosphocholine acid (CHEBI:52897) is tautomer of sphingosine-1-phosphocholine(1+) (CHEBI:58906)
Incoming sphingosine-1-phosphocholine (CHEBI:17689) is conjugate base of sphingosylphosphocholine acid (CHEBI:52897)
sphingosine-1-phosphocholine(1+) (CHEBI:58906) is tautomer of sphingosylphosphocholine acid (CHEBI:52897)
IUPAC Name
2-{[{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
Synonyms Sources
Sphing-4-enine-1-phosphocholine LIPID MAPS
Sphingosyl-phosphocholine KEGG COMPOUND
sphingosylphosphocholine ChEBI
sphingosylphosphocholine acid ChEBI
Manual Xrefs Databases
C03640 KEGG COMPOUND
SPU PDBeChem
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Last Modified
21 November 2019