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CHEBI:176986 - PI(15:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:176986
ChEBI NamePI(15:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75O13P
Net Charge0
Average Mass843.045
Monoisotopic Mass842.49453
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C44H75O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(46)56-36(34-54-37(45)32-30-28-26-24-22-16-14-12-10-8-6-4-2)35-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51/h5,7,11,13,17-18,20-21,25,27,36,39-44,47-51H,3-4,6,8-10,12,14-16,19,22-24,26,28-35H2,1-2H3,(H,52,53)/b7-5-,13-11-,18-17-,21-20-,27-25-/t36-,39?,40-,41?,42?,43?,44?/m1/s1
InChIKeyZXUXLWDNEVEFAO-KTNRROCJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PI(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:176986) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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