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CHEBI:89251 - 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:89251
ChEBI Name1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-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 (11Z)-octadecenoyl respectively.
Last Modified24 March 2016
DownloadsMolfile
FormulaC47H81O13P
Net Charge0
Average Mass885.126
Monoisotopic Mass884.54148
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)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C47H81O13P/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/h5,7,11,13-14,16-17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,15,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,16-14-,19-17-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyVIGFKXLWKPBIQI-LIIRBWKMSA-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-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89251) has functional parent all-cis-8,11,14,17-icosatetraenoic acid (CHEBI:71488)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89251) has functional parent cis-vaccenic acid (CHEBI:50464)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89251) has role human metabolite (CHEBI:77746)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89251) 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-{[(11Z)-octadec-11-enoyl]oxy}propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Synonyms  Source
1-Eicsoatetraenoyl-2-vaccenoyl-sn-glycero-3-phosphoinositolHMDB
PI(20:4n3/18:1n7)HMDB
PIno(20:4w3/18:1w7)HMDB
PI(38:5)HMDB
1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)HMDB
PIno(20:4n3/18:1n7)HMDB
Manual XrefsDatabases
HMDB0009901HMDB
Citations