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CHEBI:84153 - 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:84153
ChEBI Name1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol
DefinitionA 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl (arachidonoyl).
Last Modified6 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H83O13P
Net Charge0
Average Mass887.142
Monoisotopic Mass886.55713
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyKRTOMQDUKGRFDJ-ZAHDIIMDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) has functional parent arachidonic acid (CHEBI:15843)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) has role mouse metabolite (CHEBI:75771)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:65090)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) is a phosphatidylinositol(18:0/20:4) (CHEBI:90432)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153) is conjugate acid of 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606)
Incoming Relation(s)
1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:133606) is conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:84153)
IUPAC Names 
(2R)-1-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-octadecanoyl-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]-sn-glycero-3-phospho-1D-myo-inositol
Synonyms  Source
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phospho-1D-myo-inositolChEBI
PI(18:0/20:4(5Z,8Z,11Z,14Z))ChEBI
18:0/20:4-PIChEBI
18:0/20:4-phosphatidylinositolChEBI
PI(18:0/20:4n6)HMDB
PI(18:0/20:4)HMDB
Manual XrefsDatabases
LMGP06010010LIPID MAPS
HMDB0009815HMDB
Registry NumbersSources
Reaxys:18614873Reaxys
Citations