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CHEBI:186244 - PI(P-20:0/17:0)

ChEBI IDCHEBI:186244
ChEBI NamePI(P-20:0/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O12P
Net Charge0
Average Mass865.180
Monoisotopic Mass864.60916
SMILESCCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-55-37-39(38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52)57-40(47)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h34,36,39,41-46,48-52H,3-33,35,37-38H2,1-2H3,(H,53,54)/b36-34-/t39-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyRCEAUUZUXJUNBT-DJESIFTMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PI(P-20:0/17:0) (CHEBI:186244) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] heptadecanoate
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