EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84968 - 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−)

ChEBI IDCHEBI:84968
ChEBI Name1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−)
Stars
ASCII Name1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) obtained by deprotonation of the phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate); major species at pH 7.3.
Last Modified22 April 2015
Submitterlaimo
DownloadsMolfile
FormulaC41H77O16P2
Net Charge-3
Average Mass887.999
Monoisotopic Mass887.47033
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h33,36-41,44-47H,3-32H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/t33-,36-,37-,38-,39-,40+,41-/m1/s1
InChIKeySZPQTEWIRPXBTC-LNNNXZRXSA-K
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−) (CHEBI:84968) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) (CHEBI:57795)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−) (CHEBI:84968) is conjugate base of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) (CHEBI:85521)
Incoming Relation(s)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) (CHEBI:85521) is conjugate acid of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−) (CHEBI:84968)
IUPAC Name 
(2R)-2,3-bis(hexadecanoyloxy)propyl (1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
Synonym  Source
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−)ChEBI
UniProt Name  Source
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)UniProt
Registry NumbersSources
Reaxys:9542405Reaxys