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CHEBI:185927 - PIP2(16:0/16:0)

ChEBI IDCHEBI:185927
ChEBI NamePIP2(16:0/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H81O19P3
Net Charge0
Average Mass971.002
Monoisotopic Mass970.45849
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37?,38?,39+,40?,41+/m1/s1
InChIKeyHKWJHKSHEWVOSS-ADCMPYHFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PIP2(16:0/16:0) (CHEBI:185927) is a phosphatidylinositol bisphosphate (CHEBI:37328)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Manual XrefsDatabases
C00626KEGG COMPOUND
24767909ChemSpider
HMDB0010032HMDB