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CHEBI:134073 - N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine

ChEBI IDCHEBI:134073
ChEBI NameN-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine
Stars
ASCII NameN-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine
DefinitionAn N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of (11Z)-octadecenoic acid with the amino group of sphinganine-1-phosphocholine.
Last Modified17 May 2017
SubmitterKeeva
DownloadsMolfile
FormulaC41H83N2O6P
Net Charge0
Average Mass731.097
Monoisotopic Mass730.59888
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,39-40,44H,6-15,17,19-38H2,1-5H3,(H-,42,45,46,47)/b18-16-/t39-,40+/m0/s1
InChIKeyHHAUPBIWIXBMEU-MMVRYLQTSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine (CHEBI:134073) has functional parent cis-vaccenic acid (CHEBI:50464)
N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine (CHEBI:134073) has role mouse metabolite (CHEBI:75771)
N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine (CHEBI:134073) has role rat metabolite (CHEBI:86264)
N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine (CHEBI:134073) is a N-octadecenoylsphinganine-1-phosphocholine (CHEBI:136277)
IUPAC Name 
(2S,3R)-3-hydroxy-2-{[(11Z)-octadec-11-enoyl]amino}octadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d18:0/18:1(11Z))HMDB
sphingomyelin (d18:0/18:1(11Z))HMDB
N-[(11Z)-octadecenoyl]dihydrosphingosine-1-phosphocholineChEBI
Manual XrefsDatabases
HMDB0012088HMDB