EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73000 - 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:73000
ChEBI Name1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively.
Last Modified5 October 2016
Submitterabridge
DownloadsMolfile
FormulaC42H84NO8P
Net Charge0
Average Mass762.107
Monoisotopic Mass761.59346
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChIKeyPZNPLUBHRSSFHT-RRHRGVEJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:73000) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:73000) has functional parent octadecanoic acid (CHEBI:28842)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:73000) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:73000) is a phosphatidylcholine 34:0 (CHEBI:66855)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/18:0)SUBMITTER
1-palmitoyl-2-stearoyl-sn-glycero-3-phosphorylcholineSUBMITTER
1-palmitoyl-2-stearoylphosphatidylcholineLIPID MAPS
PC(34:0)HMDB
GPCho(34:0)HMDB
GPCho(16:0/18:0)HMDB
UniProt Name  Source
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010573LIPID MAPS
HMDB0007970HMDB
Registry NumbersSources
Reaxys:6258557Reaxys