EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77343 - 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:77343
ChEBI Name1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
DefinitionA 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as linoleoyl.
Last Modified4 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC45H83O13P
Net Charge0
Average Mass863.120
Monoisotopic Mass862.55713
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKeyKZVRAFHIKMDULK-HAVSRZFESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343) has functional parent linoleic acid (CHEBI:17351)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343) has role mouse metabolite (CHEBI:75771)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:65090)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343) is a phosphatidylinositol(18:0/18:2) (CHEBI:90431)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343) is conjugate acid of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77158)
Incoming Relation(s)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77158) is conjugate base of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343)
IUPAC Name 
(2R)-1-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(octadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositolChEBI
1-stearoyl-2-linoleoyl-phosphatidylinositolChEBI
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1'-myo-inositol)LIPID MAPS
PI(18:0/18:2(9Z,12Z))LIPID MAPS
Phosphatidylinositol(18:0/18:2)HMDB
Phosphatidylinositol(18:0/18:2n6)HMDB
Manual XrefsDatabases
LMGP06010956LIPID MAPS
HMDB0009809HMDB
CPD-8325MetaCyc
Registry NumbersSources
Reaxys:7615892Reaxys
CAS:88587-96-6ChemIDplus