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CHEBI:185722 - PI(P-20:0/22:0)

ChEBI IDCHEBI:185722
ChEBI NamePI(P-20:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H99O12P
Net Charge0
Average Mass935.315
Monoisotopic Mass934.68742
SMILESCCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H99O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-45(52)62-44(43-61-64(58,59)63-51-49(56)47(54)46(53)48(55)50(51)57)42-60-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h39,41,44,46-51,53-57H,3-38,40,42-43H2,1-2H3,(H,58,59)/b41-39-/t44-,46?,47-,48?,49?,50?,51?/m1/s1
InChIKeyKDOUMQMOERGCQP-QFHCBQJZSA-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-20:0/22:0) (CHEBI:185722) 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] docosanoate
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