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CHEBI:190226 - PI(16:0/17:0)

ChEBI IDCHEBI:190226
ChEBI NamePI(16:0/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H81O13P
Net Charge0
Average Mass825.071
Monoisotopic Mass824.54148
SMILESCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37?,38-,39?,40?,41?,42?/m1/s1
InChIKeyQVAGJHIIXLLVCI-AHOOHDHWSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
PI(16:0/17:0) (CHEBI:190226) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] heptadecanoate
Manual XrefsDatabases
LMGP06010880LIPID MAPS