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CHEBI:186429 - PI(20:0/18:1(9Z))

ChEBI IDCHEBI:186429
ChEBI NamePI(20:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H89O13P
Net Charge0
Average Mass893.190
Monoisotopic Mass892.60408
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H89O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,39,42-47,50-54H,3-17,19-20,22-38H2,1-2H3,(H,55,56)/b21-18-/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyMXUCIOPAYBFEMR-HERWTJDTSA-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(20:0/18:1(9Z)) (CHEBI:186429) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] icosanoate
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