Concept information
...
nucleobase-containing molecular entity
nucleoside phosphate
adenosine phosphate
adenosine 5'-phosphate
...
nucleobase-containing molecular entity
nucleoside phosphate
adenosine phosphate
adenosine 5'-phosphate
Preferred term
1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- +1
formula
- C22H27N6O16P2S
has_functional_parent
inchi
- InChI=1S/C22H26N6O16P2S/c23-17-12-18(25-6-24-17)28(7-26-12)20-16(32)14(30)11(43-20)5-41-46(38,39)44-21(33)8-1-9(22(34)47)3-27(2-8)19-15(31)13(29)10(42-19)4-40-45(35,36)37/h1-3,6-7,10-11,13-16,19-20,29-32H,4-5H2,(H5-,23,24,25,34,35,36,37,38,39,47)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
inchikey
- BXFOCKPGPXKYAL-HISDBWNOSA-O
is_conjugate_acid_of
mass
- 725.495
monoisotopicmass
- 725.06740
smiles
- O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(S)=O)C(=O)OP(OC[C@H]3O[C@@H](N4C=5N=CN=C(N)C5N=C4)[C@@H]([C@@H]3O)O)(=O)O)[C@@H]([C@@H]1O)O)P(O)(=O)O
subset
- 3_STAR
synonym RELATED
- PCTMN-adenylate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:137397
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