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

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ChEBI Name N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine
ChEBI ID CHEBI:134073
ChEBI ASCII Name N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine
Definition An N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of (11Z)-octadecenoic acid with the amino group of sphinganine-1-phosphocholine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H83N2O6P
Net Charge 0
Average Mass 731.083
Monoisotopic Mass 730.59888
InChI InChI=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
InChIKey HHAUPBIWIXBMEU-MMVRYLQTSA-N
SMILES C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
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ChEBI Ontology
Outgoing 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 Sources
N-[(11Z)-octadecenoyl]dihydrosphingosine-1-phosphocholine ChEBI
SM(d18:0/18:1(11Z)) HMDB
sphingomyelin (d18:0/18:1(11Z)) HMDB
Manual Xref Database
HMDB0012088 HMDB
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Last Modified
17 May 2017