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CHEBI:186222 - PI(O-18:0/22:2(13Z,16Z))

ChEBI IDCHEBI:186222
ChEBI NamePI(O-18:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H93O12P
Net Charge0
Average Mass905.245
Monoisotopic Mass904.64047
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C49H93O12P/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/h11,13,17,19,42,44-49,51-55H,3-10,12,14-16,18,20-41H2,1-2H3,(H,56,57)/b13-11-,19-17-/t42-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyDEASLDPYDLVOLW-VZYDYTPNSA-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-18:0/22:2(13Z,16Z)) (CHEBI:186222) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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