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CHEBI:180835 - PIP(16:1(9Z)/18:0)

ChEBI IDCHEBI:180835
ChEBI NamePIP(16:1(9Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78O16P2
Net Charge0
Average Mass889.007
Monoisotopic Mass888.47651
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H78O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h13,15,33,36-41,44-47H,3-12,14,16-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b15-13-/t33-,36?,37?,38?,39?,40-,41+/m1/s1
InChIKeyQNYMBSGYJKWSEC-XLKALSDESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
PIP(16:1(9Z)/18:0) (CHEBI:180835) is a glycerophosphoinositol phosphate (CHEBI:35771)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] hexadecanoate
Manual XrefsDatabases
HMDB0009940HMDB
24767821ChemSpider
C00626KEGG COMPOUND