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CHEBI:85190 - 1-(5Z,8Z,11Z,14Z,17Z)-docosapent-5,8,11,14,17-enoyl-2-stearoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:85190
ChEBI Name1-(5Z,8Z,11Z,14Z,17Z)-docosapent-5,8,11,14,17-enoyl-2-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-(5Z,8Z,11Z,14Z,17Z)-docosapent-5,8,11,14,17-enoyl-2-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
Definition1-phosphatidyl-1D-myo-inositol in which the 1- and 2-acyl groups are specified as (5Z,8Z,11Z,14Z,17Z)-docosapent-5,8,11,14,17-enoyl and octadecanoyl (stearoyl) respectively.
Last Modified11 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC49H85O13P
Net Charge0
Average Mass913.180
Monoisotopic Mass912.57278
SMILESCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h9,11,15,17,20-21,24-25,29,31,41,44-49,52-56H,3-8,10,12-14,16,18-19,22-23,26-28,30,32-40H2,1-2H3,(H,57,58)/b11-9-,17-15-,21-20-,25-24-,31-29-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKeyLPEGIJYYJWGSNB-LPWAKWOTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(5Z,8Z,11Z,14Z,17Z)-docosapent-5,8,11,14,17-enoyl-2-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:85190) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
IUPAC Name 
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-docosa-5,8,11,14,17-pentaenoate
Synonyms  Source
PI(22:5(5Z,8Z,11Z,14Z,17Z)/18:0)ChEBI
phosphatidylinositol(22:5(5Z,8Z,11Z,14Z,17Z)/18:0)ChEBI
Citations