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CHEBI:186317 - PI(19:0/18:3(9Z,12Z,15Z))

Default Structure
ChEBI IDCHEBI:186317
ChEBI NamePI(19:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H83O13P
Net Charge0
Average Mass875.131
Monoisotopic Mass874.55713
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H83O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38,41-46,49-53H,3-5,7,9-11,13,15-17,19,21-37H2,1-2H3,(H,54,55)/b8-6-,14-12-,20-18-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyVRVLMMXZNREIPA-HALGISAESA-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(19:0/18:3(9Z,12Z,15Z)) (CHEBI:186317) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] nonadecanoate
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