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CHEBI:186371 - PI(P-16:0/22:0)

ChEBI IDCHEBI:186371
ChEBI NamePI(P-16:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H91O12P
Net Charge0
Average Mass879.207
Monoisotopic Mass878.62481
SMILESCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H91O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)58-40(38-56-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53/h35,37,40,42-47,49-53H,3-34,36,38-39H2,1-2H3,(H,54,55)/b37-35-/t40-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyCECXENXTUAAAER-SHVHUEHDSA-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-16:0/22:0) (CHEBI:186371) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] docosanoate
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