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CHEBI:177111 - PC(O-16:0/3:1(2E))

ChEBI IDCHEBI:177111
ChEBI NamePC(O-16:0/3:1(2E))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H54NO7P
Net Charge0
Average Mass535.703
Monoisotopic Mass535.36379
SMILESC=CC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C27H54NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-26(35-27(29)7-2)25-34-36(30,31)33-23-21-28(3,4)5/h7,26H,2,6,8-25H2,1,3-5H3/t26-/m1/s1
InChIKeyFZTHXYOLVRRAMJ-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Bos grunniens (ncbitaxon:30521) subcutaneous adipose tissue (BTO:0004042) Article
ChEBI Ontology
Outgoing Relation(s)
PC(O-16:0/3:1(2E)) (CHEBI:177111) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01020070LIPID MAPS
169725ChemSpider
Registry NumbersSources
CAS:135566-25-5ChemIDplus