Inosine triphosphate (ITP)

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Systematic / IUPAC Name: {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl} phosphonophosphate

ID: Reference1236

Other Names: Inosine triphosphate;
ITP;
5-ITP;
Inosine 5-triphopshate

Formula: C10H15N4O14P3

Class: Endogenous Metabolites

Spectral Data

Inosine triphosphate (ITP) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 1969
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/17/2016 1:38:38 PM
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Identificators

InChI InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI Key HAEJPQIATWHALX-KQYNXXCUSA-N
Canonical SMILES C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CAS 132069
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Other Names Inosine triphosphate;
ITP;
5-ITP;
Inosine 5-triphopshate

In Other Databases

ChemSpider 8265
PubChem 8583
HMDb HMDB00189
ChEBI CHEBI:16039
ChemIDPlus 000132069; 024464060; 051128064
ChEMBL CHEMBL1233686
KEGG C00081