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CHEBI:185488 - PI(P-20:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:185488
ChEBI NamePI(P-20:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83O12P
Net Charge0
Average Mass871.143
Monoisotopic Mass870.56221
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H83O12P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-56-38-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)58-41(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,26,28,35,37,40,42-47,49-53H,3-5,7,9-11,13,15-17,19-21,23-25,27,29-34,36,38-39H2,1-2H3,(H,54,55)/b8-6-,14-12-,22-18-,28-26-,37-35-/t40-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyKUSMYGFSWXJQFP-IOBURXLJSA-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-20:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:185488) 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] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
LMGP06030073LIPID MAPS