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CHEBI:89244 - 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:89244
ChEBI Name1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol
DefinitionA 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and arachidoyl (icosanoyl) respectively.
Last Modified24 March 2016
DownloadsMolfile
FormulaC49H87O13P
Net Charge0
Average Mass915.196
Monoisotopic Mass914.58843
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(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)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20-22,24,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,25-23-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKeyJTNNZVJMTLLBQF-MGPGIHPHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89244) has functional parent all-cis-8,11,14,17-icosatetraenoic acid (CHEBI:71488)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89244) has functional parent icosanoic acid (CHEBI:28822)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89244) has role human metabolite (CHEBI:77746)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89244) 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-(icosanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Synonyms  Source
PIno(20:4w3/20:0)HMDB
PIno(20:4n3/20:0)HMDB
1-(8Z,11Z,14Z,17Z-Eicosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho-(1'-myo-inositol)HMDB
PI(20:4/20:0)HMDB
1-Eicsoatetraenoyl-2-arachidoyl-sn-glycero-3-phosphoinositolHMDB
Phosphatidylinositol(20:4/20:0)HMDB
Manual XrefsDatabases
HMDB0009903HMDB
Citations