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CHEBI:78995 - 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)(3−)

ChEBI IDCHEBI:78995
ChEBI Name1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)(3−)
Stars
ASCII Name1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)(3-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) arising from deprotonation of the phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate); major species at pH 7.3.
Last Modified15 August 2019
Submitternhn
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-KFOWTEFUSA-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-(1'D-myo-inositol-3'-phosphate)(3−) (CHEBI:78995) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate(3−) (CHEBI:58088)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)(3−) (CHEBI:78995) is a 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3−) (CHEBI:78993)
IUPAC Name 
(2R)-2,3-bis(hexadecanoyloxy)propyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
UniProt Name  Source
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3-phosphate)UniProt
Registry NumbersSources
Reaxys:7247341Reaxys
Citations