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CHEBI:187531 - PI(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:187531
ChEBI NamePI(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H85O12P
Net Charge0
Average Mass897.181
Monoisotopic Mass896.57786
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C49H85O12P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(50)60-42(41-59-62(56,57)61-49-47(54)45(52)44(51)46(53)48(49)55)40-58-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,42,44-49,51-55H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-41H2,1-2H3,(H,56,57)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-/t42-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyCPWBMXQIYVQUOY-GYXKEXBASA-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-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:187531) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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LMGP06020084LIPID MAPS