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CHEBI:89250 - 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:89250
ChEBI Name1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-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 octadecanoyl respectively.
Last Modified24 March 2016
DownloadsMolfile
FormulaC47H83O13P
Net Charge0
Average Mass887.142
Monoisotopic Mass886.55713
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)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyRMRCTNVEDOWEQF-TXXKXUKCSA-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-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) has functional parent all-cis-8,11,14,17-icosatetraenoic acid (CHEBI:71488)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) has functional parent octadecanoic acid (CHEBI:28842)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) has role human metabolite (CHEBI:77746)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) 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 (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Synonyms  Source
PI(20:4n3/18:0)HMDB
Phosphatidylinositol(38:4)HMDB
PIno(20:4/18:0)HMDB
[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acidHMDB
PI(38:4)HMDB
PI(20:4/18:0)HMDB
Manual XrefsDatabases
HMDB0009900HMDB
Citations