D-myo-Inositol 1,4-bisphosphate

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Systematic / IUPAC Name: [(2R,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate

ID: Reference1502

Other Names: myo-Inositol 1,4-bisphosphate;
1D-myo-Inositol 1,4-bis(dihydrogen phosphate);
1D-myo-Inositol 1,4-bisphosphate;
D-myo-Inositol-1,4-bisphosphate;
Inositol 1,4-bisphosphate

Formula: C6H14O12P2

Class: Endogenous Metabolites

Spectral Data

D-myo-Inositol 1,4-bisphosphate 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 154
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 10:43:59 AM
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Identificators

InChI InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5?,6?/m1/s1
InChI Key PELZSPZCXGTUMR-MBEOBJKWSA-N
Canonical SMILES C1(C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O
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Other Names myo-Inositol 1,4-bisphosphate;
1D-myo-Inositol 1,4-bis(dihydrogen phosphate);
1D-myo-Inositol 1,4-bisphosphate;
D-myo-Inositol-1,4-bisphosphate;
Inositol 1,4-bisphosphate

In Other Databases

ChemSpider 388552
KEGG C01220
PubChem 439444