Cyclic ADP-ribose

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Systematic / IUPAC Name: (2R,3R,4S,5R,13R,14S,15R,16R)-24-Imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5 113,16 017,21]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide

ID: Reference1716

Other Names: Cyclic adenosine diphosphate ribose;
cADPR

Formula: C15H21N5O13P2

Class: Endogenous Metabolites

Spectral Data

Cyclic ADP-ribose 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 2
No. of Spectra 447
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 9:05:53 AM
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Identificators

InChI InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChI Key BQOHYSXSASDCEA-KEOHHSTQSA-N
Canonical SMILES C1C2C(C(C(O2)N3C=NC4=C3N=CN(C4=N)C5C(C(C(O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O
CAS 119340533
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Other Names Cyclic adenosine diphosphate ribose;
cADPR

In Other Databases

ChemSpider 21403087
KEGG C13050
ChEBI CHEBI:31445
PubChem 123847
Wikipedia Cyclic_ADP-ribose