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CHEBI:186428 - PI(O-16:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:186428
ChEBI NamePI(O-16:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85O12P
Net Charge0
Average Mass873.159
Monoisotopic Mass872.57786
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H85O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)58-40(38-56-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53/h11,13,17,19,21-22,24,26,40,42-47,49-53H,3-10,12,14-16,18,20,23,25,27-39H2,1-2H3,(H,54,55)/b13-11-,19-17-,22-21-,26-24-/t40-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyRZYWZBYGQRCQOR-WEBWWRRCSA-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-16:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:186428) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP06020018LIPID MAPS