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CHEBI:185152 - PI(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185152
ChEBI NamePI(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83O12P
Net Charge0
Average Mass871.143
Monoisotopic Mass870.56221
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H83O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)58-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,40,42-47,49-53H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H,54,55)/b7-5-,13-11-,19-17-,24-22-,30-28-/t40-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyWDNYDAZBTVXYCC-NAUKNTRWSA-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(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185152) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP06020086LIPID MAPS