CHEBI:134074 - N-oleoylsphinganine-1-phosphocholine

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ChEBI Name N-oleoylsphinganine-1-phosphocholine
ChEBI ID CHEBI:134074
ChEBI ASCII Name N-oleoylsphinganine-1-phosphocholine
Definition An N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of oleic acid with the amino group of sphinganine-1-phosphocholine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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/h20-21,39-40,44H,6-19,22-38H2,1-5H3,(H-,42,45,46,47)/b21-20-/t39-,40+/m0/s1
InChIKey XYLWKHKCYHMVMA-RVPJYPCXSA-N
SMILES N(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@@H](CCCCCCCCCCCCCCC)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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-oleoylsphinganine-1-phosphocholine (CHEBI:134074) has functional parent oleic acid (CHEBI:16196)
N-oleoylsphinganine-1-phosphocholine (CHEBI:134074) has role mouse metabolite (CHEBI:75771)
N-oleoylsphinganine-1-phosphocholine (CHEBI:134074) has role rat metabolite (CHEBI:86264)
N-oleoylsphinganine-1-phosphocholine (CHEBI:134074) is a N-octadecenoylsphinganine-1-phosphocholine (CHEBI:136277)
IUPAC Name
(2S,3R)-3-hydroxy-2-{[(9Z)-octadec-9-enoyl]amino}octadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2-{[(2S,3R)-3-hydroxy-2-[(9Z)-octadec-9-enamido]octadecyl phosphonato]oxy}ethyl)trimethylazanium HMDB
C18:1DH Sphingomyelin LIPID MAPS
N-(9Z-Octadecenoyl)-sphinganine-1-phosphocholine HMDB
N-[(9Z)-octadecenoyl]dihydrsphingosine-1-phosphocholine ChEBI
N-[(9Z)-octadecenoyl]sphinganine-1-phosphocholine ChEBI
SM(d18:0/18:1(9Z)) HMDB
sphingomyelin (d18:0/18:1(9Z)) ChEBI
Manual Xrefs Databases
HMDB0012089 HMDB
LMSP03010031 LIPID MAPS
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Last Modified
17 May 2017