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Chemical structure of Cyclic ADP-ribose

GC62179

Cyclic ADP-ribose

Also known as (2R,3R,4S,5R,13R,14S,15R,16R)-8,10-dihydroxy-24-imino-8,10-dioxo-7,9,11,25,26-pentaoxa-1,17,19,22-tetraza-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,14,15-tetrol

Cyclic ADP-ribose (cADPR) is a potent second messenger for calcium mobilization that is synthesized from NAD+ by an ADP-ribosyl cyclase

ChemicalCAS119340-53-3MW541.3FormulaC15H21N5O13P2
CAS number
119340-53-3
Molecular weight
541.3
Formula
C15H21N5O13P2
Solubility
H2O ： 5 mg/mL (9·24 mM; Need ultrasonic and warming)
InChIKey
BQOHYSXSASDCEA-KEOHHSTQSA-N
Catalogue number
GC62179
Brand
GLPBIO
Computed properties PubChem CID 123847 · XLogP -5.7 · TPSA 259 Ų · H-bond donors 7
XLogP
-5.7
TPSA
259 Ų
H-bond donors
7
H-bond acceptors
16
Rotatable bonds
0
Heavy atoms
35

SMILES C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O

Computed descriptors from PubChem (CID 123847), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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