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CHEBI:185715 - PI(O-16:0/20:2(11Z,14Z))

ChEBI IDCHEBI:185715
ChEBI NamePI(O-16:0/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O12P
Net Charge0
Average Mass849.137
Monoisotopic Mass848.57786
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H85O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)56-38(36-54-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51/h11,13,17,19,38,40-45,47-51H,3-10,12,14-16,18,20-37H2,1-2H3,(H,52,53)/b13-11-,19-17-/t38-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyCYYMXNPNJYWNSC-IMWOVHPLSA-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-16:0/20:2(11Z,14Z)) (CHEBI:185715) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
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