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CHEBI:27782 - 3'-dehydro-ATP

ChEBI IDCHEBI:27782
ChEBI Name3'-dehydro-ATP
Stars
DefinitionA ribonucleotide that is the 3'-dehydro derivative of adenosine 5'-triphosphate.
Secondary ChEBI IDsCHEBI:1350, CHEBI:19853
Last Modified6 February 2018
DownloadsMolfile
FormulaC10H14N5O13P3
Net Charge0
Average Mass505.166
Monoisotopic Mass504.98010
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=O)[C@H]1O
InChIInChI=1S/C10H14N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1
InChIKeyDWVQEFBZTUVQKH-XMRAEQSQSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-dehydro-ATP (CHEBI:27782) has functional parent ATP (CHEBI:15422)
3'-dehydro-ATP (CHEBI:27782) is a ribonucleotide (CHEBI:26561)
3'-dehydro-ATP (CHEBI:27782) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl-3-ulose]-9H-purin-6-amine
Synonyms  Source
3'-Keto-3'-deoxy-ATPKEGG COMPOUND
3'-dehydro-adenosine 5'-triphosphateChEBI
3'-keto-ATPChEBI
Manual XrefsDatabases
C07024KEGG COMPOUND