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CHEBI:186849 - PI(18:3(6Z,9Z,12Z)/13:0)

ChEBI IDCHEBI:186849
ChEBI NamePI(18:3(6Z,9Z,12Z)/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71O13P
Net Charge0
Average Mass790.969
Monoisotopic Mass790.46323
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C40H71O13P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-33(41)50-30-32(52-34(42)29-27-25-23-20-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h11,13,16-17,19,21,32,35-40,43-47H,3-10,12,14-15,18,20,22-31H2,1-2H3,(H,48,49)/b13-11-,17-16-,21-19-/t32-,35?,36-,37?,38?,39?,40?/m1/s1
InChIKeyZXUKQEMBSFEDOC-JXUNJEDRSA-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(18:3(6Z,9Z,12Z)/13:0) (CHEBI:186849) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-tridecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
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