Structure via PubChem · Public domain (PubChem)
cyclic ADP-ribose
Sign in to saveAlso known as cyclic ADP ribose, cADPR, cyclic ADP-D-ribose, cyclic adenosine diphosphate ribose, Enzyme-activated NAD, E-NAD
chemical compound
Chemical data
- Formula
- C15H21N5O13P2
- Molecular weight
- 541.3 g/mol
- IUPAC name
- (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
- 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
- InChIKey
- BQOHYSXSASDCEA-KEOHHSTQSA-N
- XLogP
- -5.7
- Polar surface area
- 259 Ų
- H-bond donors
- 7
- H-bond acceptors
- 16
- Formal charge
- 0
via PubChem
Wikidata facts
- Has part
- carbon
- Mass
- 541.061109
Show 3 more facts
- chemical formula
- C₁₅H₂₁N₅O₁₃P₂
- isomeric 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
- 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
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