Adenosine 3-phosphate 5-phosphosulfate

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Systematic / IUPAC Name: 5'-O-[Hydroxy(sulfooxy)phosphoryl]adenosine 3'-phosphate

ID: Reference1706

Other Names: 5-Phosphoadenosine 3-phosphosulfate;
PAPS;
Phosphoadenosine phosphosulfate;
Phosphoadenosine phosphosulfic acid;
9H-Purin-6-amine, 9-{5-O-[hydroxy(sulfooxy)phosphinyl]-3-O-phosphono-β-D-ribofuranosyl}-

Formula: C10H15N5O13P2S

Class: Endogenous Metabolites

Spectral Data

Adenosine 3-phosphate 5-phosphosulfate 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 147
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 2/13/2017 9:40:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
InChI Key GACDQMDRPRGCTN-KQYNXXCUSA-N
Canonical SMILES
CAS 482677
Splash
Other Names 5-Phosphoadenosine 3-phosphosulfate;
PAPS;
Phosphoadenosine phosphosulfate;
Phosphoadenosine phosphosulfic acid;
9H-Purin-6-amine, 9-{5-O-[hydroxy(sulfooxy)phosphinyl]-3-O-phosphono-β-D-ribofuranosyl}-

In Other Databases

ChemIDPlus 000482677
KEGG C00053
ChemSpider 9799
Wikipedia 3'-Phosphoadenosine-5'-phosphosulfate
PubChem 10214
HMDb HMDB01134
ChEBI CHEBI:17980