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CHEBI:76076 - 2-stearoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:76076
ChEBI Name2-stearoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name2-stearoyl-sn-glycero-3-phosphocholine
DefinitionA lysophosphatidylcholine 18:0 in which the acyl group is specified as stearoyl (octadecanoyl) and is located at position 2.
Last Modified23 February 2016
Submitterlaimo
DownloadsMolfile
FormulaC26H54NO7P
Net Charge0
Average Mass523.692
Monoisotopic Mass523.36379
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)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)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChIKeyIQGPMZRCLCCXAG-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76076) has functional parent octadecanoic acid (CHEBI:28842)
2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76076) has role human metabolite (CHEBI:77746)
2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76076) is a lysophosphatidylcholine(0:0/18:0) (CHEBI:91299)
IUPAC Name 
(2R)-3-hydroxy-2-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
(2R)-3-hydroxy-2-(stearoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphateIUPAC
2-octadecanoyl-sn-glycero-3-phosphocholineLIPID MAPS
2-stearoyllysophosphatidylcholineSUBMITTER
LPC (18:0)SUBMITTER
PC(0:0/18:0)LIPID MAPS
Stearoyl lysophosphatidylcholineHMDB
UniProt Name  Source
2-octadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
HMDB0011128HMDB
LMGP01050076LIPID MAPS
Registry NumbersSources
Reaxys:9676350Reaxys