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CHEBI:186402 - PI(17:0/21:0)

ChEBI IDCHEBI:186402
ChEBI NamePI(17:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H91O13P
Net Charge0
Average Mass895.206
Monoisotopic Mass894.61973
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H91O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h39,42-47,50-54H,3-38H2,1-2H3,(H,55,56)/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyALFWUJLYFILPCW-NMPFYRSUSA-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(17:0/21:0) (CHEBI:186402) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-heptadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] henicosanoate
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