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CHEBI:137397 - 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate

ChEBI IDCHEBI:137397
ChEBI Name1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
Stars
ASCII Name1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
DefinitionAn acyclic mixed acid anhydride obtained by condensation of one of the carboxy group of pyridinium-3-sulfanylcarbonyl-5-carboxylic acid mononucleotide with the phosphste group of AMP.
Last Modified12 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H27N6O16P2S
Net Charge+1
Average Mass725.499
Monoisotopic Mass725.06740
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2cc(C(=O)S)c[n+]([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyBXFOCKPGPXKYAL-HISDBWNOSA-O
ChEBI Ontology
Outgoing Relation(s)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) has functional parent pyridinium-3,5-biscarboxylic acid mononucleotide (CHEBI:137395)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) is a acyclic mixed acid anhydride (CHEBI:37787)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) is a adenosine 5'-phosphate (CHEBI:37096)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) is a pyridine nucleotide (CHEBI:36980)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) is conjugate acid of 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137358)
Incoming Relation(s)
1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137358) is conjugate base of 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397)
Synonym  Source
PCTMN-adenylateChEBI
Citations