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CHEBI:185319 - PI(O-20:0/17:2(9Z,12Z))

ChEBI IDCHEBI:185319
ChEBI NamePI(O-20:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H87O12P
Net Charge0
Average Mass863.164
Monoisotopic Mass862.59351
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H87O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-55-37-39(38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52)57-40(47)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10,12,16,18,39,41-46,48-52H,3-9,11,13-15,17,19-38H2,1-2H3,(H,53,54)/b12-10-,18-16-/t39-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyNSEUJPRFGHBWSM-PDDJVWQDSA-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-20:0/17:2(9Z,12Z)) (CHEBI:185319) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-icosoxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
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