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CHEBI:185624 - PI(P-20:0/22:2(13Z,16Z))

Default Structure
ChEBI IDCHEBI:185624
ChEBI NamePI(P-20:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H95O12P
Net Charge0
Average Mass931.283
Monoisotopic Mass930.65612
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C51H95O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-45(52)62-44(43-61-64(58,59)63-51-49(56)47(54)46(53)48(55)50(51)57)42-60-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,41,44,46-51,53-57H,3-10,12,14-16,18,20-38,40,42-43H2,1-2H3,(H,58,59)/b13-11-,19-17-,41-39-/t44-,46?,47-,48?,49?,50?,51?/m1/s1
InChIKeyXEZJGHVRHGVCSX-FGIRARMSSA-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(P-20:0/22:2(13Z,16Z)) (CHEBI:185624) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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