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CHEBI:186386 - PI(O-18:0/18:2(9Z,12Z))

ChEBI IDCHEBI:186386
ChEBI NamePI(O-18:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O12P
Net Charge0
Average Mass849.137
Monoisotopic Mass848.57786
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H85O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38,40-45,47-51H,3-11,13,15-17,19,21-37H2,1-2H3,(H,52,53)/b14-12-,20-18-/t38-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyRATASPQZJDBKQH-HMXJJVHXSA-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-18:0/18:2(9Z,12Z)) (CHEBI:186386) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
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