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

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ChEBI Name 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−)
ChEBI ID CHEBI:84968
ChEBI ASCII Name 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C41H77O16P2
Net Charge -3
Average Mass 887.98960
Monoisotopic Mass 887.47033
InChI InChI=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
InChIKey SZPQTEWIRPXBTC-LNNNXZRXSA-K
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) UniProt
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3−) ChEBI
Registry Number Type Source
9542405 Reaxys Registry Number Reaxys
Last Modified
22 April 2015