Adenosine diphosphate (ADP)

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Systematic / IUPAC Name: [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyldiphosphate

ID: Reference298

Other Names: 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-glycero-pentofuranosyl}-9H-purin-6-amine;
9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-;
Adenosine diphosphate;
Adenosine pyrophosphate;
ADP ; more

Formula: C10H15N5O10P2

Class: Endogenous Metabolites

Spectral Data

Adenosine diphosphate (ADP) 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 312
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/10/2014 11:23:54 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI Key XTWYTFMLZFPYCI-KQYNXXCUSA-N
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
CAS 58640
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Other Names 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-glycero-pentofuranosyl}-9H-purin-6-amine;
9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-;
Adenosine diphosphate;
Adenosine pyrophosphate;
ADP;
Adenosine diphosphoric acid;
Adenosine-5-diphosphate

In Other Databases

ChemIDPlus 000058640; 020310605; 016178486; 001172425; 018389496
Wikipedia Adenosine_diphosphate
KEGG C00008
ChemSpider 5800
PubChem 6022
ChEMBL CHEMBL14830
HMDb HMDB01341
ChEBI CHEBI:16761