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CHEBI:193232 - PI(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:193232
ChEBI NamePI(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H77O12P
Net Charge0
Average Mass841.073
Monoisotopic Mass840.51526
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H77O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)56-38(36-54-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51/h5,7,11,13,17,19,21-22,26,28,33,35,38,40-45,47-51H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-32,34,36-37H2,1-2H3,(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-,35-33-/t38-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyLFWNKCFMFUHBMY-UKQPAXHXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
PI(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:193232) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP06030023LIPID MAPS