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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:77343
ChEBI ASCII Name 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
Definition A 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as linoleoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H83O13P
Net Charge 0
Average Mass 863.10650
Monoisotopic Mass 862.55713
InChI InChI=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
InChIKey KZVRAFHIKMDULK-HAVSRZFESA-N
SMILES CCCCCCCCCCCCCCCCCC(=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)CCCCCCC\C=C/C\C=C/CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
1-18:0-2-18:2-phosphatidylinositol MetaCyc
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol ChEBI
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1'-myo-inositol) LIPID MAPS
1-stearoyl-2-linoleoyl-phosphatidylinositol ChEBI
18:0-18:2-PI MetaCyc
Phosphatidylinositol(18:0/18:2) HMDB
Phosphatidylinositol(18:0/18:2n6) HMDB
Phosphatidylinositol(18:0/18:2ω6) HMDB
Phosphatidylinositol(36:2) HMDB
PI(18:0/18:2(9Z,12Z)) LIPID MAPS
PI(18:0/18:2) HMDB
PI(18:0/18:2n6) HMDB
PI(18:0/18:2ω6) HMDB
PI(36:2) HMDB
Manual Xrefs Databases
CPD-8325 MetaCyc
HMDB0009809 HMDB
LMGP06010956 LIPID MAPS
View more database links
Registry Numbers Types Sources
7615892 Reaxys Registry Number Reaxys
88587-96-6 CAS Registry Number ChemIDplus
Last Modified
04 March 2016