CHEBI:89243 - 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:89243
ChEBI ASCII Name 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol
Definition A 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)-icosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C49H85O13P
Net Charge 0
Average Mass 913.167
Monoisotopic Mass 912.57278
InChI InChI=1S/C49H85O13P/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/h5,7,11,13,17-20,23,25,41,44-49,52-56H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKey DFVYHWRJXSIHDY-IDUKVEHYSA-N
SMILES C(C/C=C\CCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89243) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89243) has functional parent all-cis-8,11,14,17-icosatetraenoic acid (CHEBI:71488)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89243) has role human metabolite (CHEBI:77746)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89243) 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)-icos-11-enoyl]oxy}propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Synonyms Sources
1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) HMDB
1-Eicsoatetraenoyl-2-eicosenoyl-sn-glycero-3-phosphoinositol HMDB
[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid HMDB
Phosphatidylinositol(20:4/20:1) HMDB
Phosphatidylinositol(20:4n3/20:1n9) HMDB
Phosphatidylinositol(20:4w3/20:1w9) HMDB
Phosphatidylinositol(40:5) HMDB
PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) HMDB
PI(20:4/20:1) HMDB
PI(20:4n3/20:1n9) HMDB
PI(20:4w3/20:1w9) HMDB
PI(40:5) HMDB
PIno(20:4/20:1) HMDB
PIno(20:4n3/20:1n9) HMDB
PIno(20:4w3/20:1w9) HMDB
PIno(40:5) HMDB
Manual Xref Database
HMDB0009904 HMDB
View more database links
Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 March 2016