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CHEBI:83436 - 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−)

ChEBI IDCHEBI:83436
ChEBI Name1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−)
Stars
ASCII Name1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 4-phosphate(3−) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl).
Last Modified13 January 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](O)[C@H](OP(=O)([O-])[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)40(37(45)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
InChIKeyUJVUMTUBMCYKBK-JULCEDCESA-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-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:83436) is a 1-phosphatidyl-1D-myo-inositol 4-phosphate(3−) (CHEBI:58178)
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:83436) is conjugate base of 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:84263)
Incoming Relation(s)
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:84263) is conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:83436)
IUPAC Name 
(2R)-2,3-bis(hexadecanoyloxy)propyl (1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−)SUBMITTER
PtdIns(4)P-diC16 (3−)SUBMITTER
PIP[4'](16:0/16:0)(3−)ChEBI
UniProt Name  Source
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)UniProt
Registry NumbersSources
Reaxys:9542464Reaxys