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CHEBI:190195 - PI(16:0/20:5)

ChEBI IDCHEBI:190195
ChEBI NamePI(16:0/20:5)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H77O13P
Net Charge0
Average Mass857.072
Monoisotopic Mass856.51018
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C45H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,37,40-45,48-52H,3-4,6,8-10,12,14-16,21-22,24,26-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-/t37-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyNRPXUYRMHLPEFZ-XHOZZLLCSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
PI(16:0/20:5) (CHEBI:190195) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP06010405LIPID MAPS