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CHEBI:188233 - PI(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:188233
ChEBI NamePI(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79O12P
Net Charge0
Average Mass843.089
Monoisotopic Mass842.53091
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H79O12P/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/h5,7,11,13,17,19,21-22,26,28,38,40-45,47-51H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-37H2,1-2H3,(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-/t38-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyRNQKOHOSTXZKMH-HZUGGPQHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PI(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:188233) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-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
LMGP06020075LIPID MAPS