Phosphatidylinositol-1,2-dipalmitoyl

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Systematic / IUPAC Name: (2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate

ID: Reference1455

Other Names: 1,2-Dipalmitoyl-sn-glycero-3-phospho-D-myo-inositol ;
Dipalmitoyl phosphatidylinositol;
Hexadecanoic acid, (1R)-2-[(hydroxy{[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinyl)oxy]-1-{[(1-oxohexadecyl)oxy]methyl}ethyl ester

Formula: C41H79O13P

Class: Endogenous Metabolites

Spectral Data

Phosphatidylinositol-1,2-dipalmitoyl mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 124
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 10/19/2016 1:37:07 PM
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Identificators

InChI InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39-,40-,41-/m1/s1
InChI Key IBUKXRINTKQBRQ-KCKFLZCVSA-N
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
CAS 34290578
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Other Names 1,2-Dipalmitoyl-sn-glycero-3-phospho-D-myo-inositol ;
Dipalmitoyl phosphatidylinositol;
Hexadecanoic acid, (1R)-2-[(hydroxy{[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinyl)oxy]-1-{[(1-oxohexadecyl)oxy]methyl}ethyl ester

In Other Databases

ChEBI CHEBI:73229
ChemSpider 26324102