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CHEBI:191369 - 18:2-18:2-PI

ChEBI IDCHEBI:191369
ChEBI Name18:2-18:2-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78O13P
Net Charge-1
Average Mass858.080
Monoisotopic Mass857.51855
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40-45,48-52H,3-10,15-16,21-36H2,1-2H3,(H,53,54)/p-1/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41-,42+,43-,44-,45?/m1/s1
InChIKeyJTPRPYYVVJBCFF-NCGFHHSNSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
18:2-18:2-PI (CHEBI:191369) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate