Terminology Service for NFDI4Health
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol
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http://purl.obolibrary.org/obo/CHEBI_89251
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)-octadecenoyl respectively.
Term info
Label
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol
Synonyms
- (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
Subsets
3_STAR
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
[
IUPAC
]
charge
0
formula
C47H81O13P
has obo namespace
chebi_ontology
has related synonym
PI(20:4n3/18:1n7), PIno(20:4w3/18:1w7), PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)), PI(20:4/18:1), [(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid, PI(20:4w3/18:1w7), PIno(38:5), Phosphatidylinositol(20:4w3/18:1w7), 1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol), Phosphatidylinositol(38:5), PI(38:5), PIno(20:4/18:1), Phosphatidylinositol(20:4n3/18:1n7), PIno(20:4n3/18:1n7), 1-Eicsoatetraenoyl-2-vaccenoyl-sn-glycero-3-phosphoinositol, Phosphatidylinositol(20:4/18:1)
id
CHEBI:89251
inchi
InChI=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
inchikey
VIGFKXLWKPBIQI-LIIRBWKMSA-N
mass
885.114
monoisotopicmass
884.54148
smiles
C(C/C=C\CCCCCC)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