Terminology Service for NFDI4Health
JSON

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

Go to external page http://purl.obolibrary.org/obo/CHEBI_89250

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 octadecanoyl respectively.

Term info

Label

1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-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-(octadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
database cross reference
Subsets

3_STAR

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 [ IUPAC ]

charge

0

formula

C47H83O13P

has obo namespace

chebi_ontology

has related synonym

PI(20:4(8Z,11Z,14Z,17Z)/18:0), 1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol), [(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 acid, Phosphatidylinositol(20:4n3/18:0), PIno(38:4), 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-stearoyl-sn-glycero-3-phospho-1D-myo-inositol, 1-Eicsoatetraenoyl-2-stearoyl-sn-glycero-3-phosphoinositol, PI(20:4n3/18:0), PI(20:4/18:0), PI(20:4w3/18:0), PI(38:4), Phosphatidylinositol(20:4w3/18:0), PIno(20:4/18:0), Phosphatidylinositol(38:4), Phosphatidylinositol(20:4/18:0), PIno(20:4n3/18:0), PIno(20:4w3/18:0)

id

CHEBI:89250

inchi

InChI=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

inchikey

RMRCTNVEDOWEQF-TXXKXUKCSA-N

mass

887.130

monoisotopicmass

886.55713

smiles

C(CCCCCCCCC)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