EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139223 - (2S)-1-oleoyl-2-methylglycero-3-phosphothionate

ChEBI IDCHEBI:139223
ChEBI Name(2S)-1-oleoyl-2-methylglycero-3-phosphothionate
Stars
ASCII Name(2S)-1-oleoyl-2-methylglycero-3-phosphothionate
DefinitionA glycerophospholipid obtained by formal condensation of the carboxy group of oleic acid with the primary hydroxy group of (2S)-2-methylglycero-3-phosphothionate.
Last Modified5 February 2018
Submittersabrina, zfin
DownloadsMolfile
FormulaC22H43O6PS
Net Charge0
Average Mass466.621
Monoisotopic Mass466.25180
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC
InChIInChI=1S/C22H43O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30)/b11-10-/t21-/m0/s1
InChIKeyFCVJYKICQNLXAX-XPTLAUCJSA-N
Roles Classification
Biological Role:
lysophosphatidic acid receptor 3 agonist  An agonist that binds to and activates lysophosphatidic acid 3 receptors.
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-oleoyl-2-methylglycero-3-phosphothionate (CHEBI:139223) has functional parent oleic acid (CHEBI:16196)
(2S)-1-oleoyl-2-methylglycero-3-phosphothionate (CHEBI:139223) has role lysophosphatidic acid receptor 3 agonist (CHEBI:139584)
(2S)-1-oleoyl-2-methylglycero-3-phosphothionate (CHEBI:139223) is a ether lipid (CHEBI:64611)
(2S)-1-oleoyl-2-methylglycero-3-phosphothionate (CHEBI:139223) is a glycerophospholipid (CHEBI:37739)
(2S)-1-oleoyl-2-methylglycero-3-phosphothionate (CHEBI:139223) is a organic thiophosphate (CHEBI:37512)
IUPAC Name 
(2S)-2-methoxy-3-(thiophosphonooxy)propyl (9Z)-octadec-9-enoate
Synonyms  Source
(2S)-OMPTSUBMITTER
3-oleoyl-2-methyl-sn-glycero-1-phosphothionateSUBMITTER
LPA3 agonistSUBMITTER
S-OMPTChEBI
2S-OMPTChEBI
Manual XrefsDatabases
16078994PubChem Compound
Registry NumbersSources
Reaxys:9594966Reaxys
Citations