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CHEBI:184779 - PI(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))

ChEBI IDCHEBI:184779
ChEBI NamePI(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H71O13P
Net Charge0
Average Mass827.002
Monoisotopic Mass826.46323
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C43H71O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-24-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h5,7,10-13,16-17,19-20,23,25,35,38-43,46-50H,3-4,6,8-9,14-15,18,21-22,24,26-34H2,1-2H3,(H,51,52)/b7-5-,12-10-,13-11-,17-16-,20-19-,25-23-/t35-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyUEIHBUVTZHAVTN-FHOXWBQLSA-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(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)) (CHEBI:184779) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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