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CHEBI:188054 - PI(17:2(9Z,12Z)/19:0)

ChEBI IDCHEBI:188054
ChEBI NamePI(17:2(9Z,12Z)/19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83O13P
Net Charge0
Average Mass863.120
Monoisotopic Mass862.55713
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,37,40-45,48-52H,3-9,11,13-15,17,19-36H2,1-2H3,(H,53,54)/b12-10-,18-16-/t37-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyZCNFWTQDZASUAH-RWKRNGNTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PI(17:2(9Z,12Z)/19:0) (CHEBI:188054) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] nonadecanoate
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LMGP06010262LIPID MAPS