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CHEBI:73858 - 1-stearoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:73858
ChEBI Name1-stearoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-stearoyl-sn-glycero-3-phosphocholine
DefinitionA lysophosphatidylcholine 18:0 in which the acyl substituent is located at position 1 and is specified as stearoyl.
Secondary ChEBI IDCHEBI:74964
Last Modified8 August 2017
Submitterlaimo, mwilliams
DownloadsMolfile
FormulaC26H54NO7P
Net Charge0
Average Mass523.692
Monoisotopic Mass523.36379
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChIKeyIHNKQIMGVNPMTC-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-sn-glycero-3-phosphocholine (CHEBI:73858) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-sn-glycero-3-phosphocholine (CHEBI:73858) has role apoptosis inducer (CHEBI:68495)
1-stearoyl-sn-glycero-3-phosphocholine (CHEBI:73858) has role mouse metabolite (CHEBI:75771)
1-stearoyl-sn-glycero-3-phosphocholine (CHEBI:73858) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
1-stearoyl-sn-glycero-3-phosphocholine (CHEBI:73858) is a lysophosphatidylcholine 18:0 (CHEBI:64561)
IUPAC Name 
(2R)-2-hydroxy-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-octadecanoyl-sn-glycero-3-phosphocholineLIPID MAPS
1-Stearoyl-glycero-3-phosphocholineHMDB
PC 18:0/0:0ChEBI
LysoPC 18:0/0:0ChEBI
LPC 18:0/0:0ChEBI
lysophosphatidylcholine (18:0/0:0)ChEBI
UniProt Name  Source
1-octadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01050026LIPID MAPS
HMDB0010384HMDB
Registry NumbersSources
Reaxys:4215476Reaxys
CAS:5655-17-4ChemIDplus
Citations