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CHEBI:185254 - PI(O-20:0/16:1(9Z))

ChEBI IDCHEBI:185254
ChEBI NamePI(O-20:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H87O12P
Net Charge0
Average Mass851.153
Monoisotopic Mass850.59351
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H87O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16,38,40-45,47-51H,3-13,15,17-37H2,1-2H3,(H,52,53)/b16-14-/t38-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyXLQHGVVUOHUOBT-DTZUHFEFSA-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-20:0/16:1(9Z)) (CHEBI:185254) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-icosoxypropan-2-yl] (Z)-hexadec-9-enoate
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