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CHEBI:176983 - PI(P-18:0/17:2(9Z,12Z))

ChEBI IDCHEBI:176983
ChEBI NamePI(P-18:0/17:2(9Z,12Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H81O12P
Net Charge0
Average Mass833.094
Monoisotopic Mass832.54656
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C44H81O12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-53-35-37(36-54-57(51,52)56-44-42(49)40(47)39(46)41(48)43(44)50)55-38(45)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,32,34,37,39-44,46-50H,3-9,11,13-15,17,19-31,33,35-36H2,1-2H3,(H,51,52)/b12-10-,18-16-,34-32-/t37-,39?,40-,41?,42?,43?,44?/m1/s1
InChIKeyNQUPTTUFHDCYTM-UOAWVMIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PI(P-18:0/17:2(9Z,12Z)) (CHEBI:176983) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
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