CHEBI:27782 - 3'-dehydro-ATP

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ChEBI Name 3'-dehydro-ATP
ChEBI ID CHEBI:27782
Definition A ribonucleotide that is the 3'-dehydro derivative of adenosine 5'-triphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1350, CHEBI:19853
Supplier Information
Download Molfile XML SDF
Formula C10H14N5O13P3
Net Charge 0
Average Mass 505.16510
Monoisotopic Mass 504.98010
InChI InChI=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
InChIKey DWVQEFBZTUVQKH-XMRAEQSQSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)[C@H]1O
ChEBI Ontology
Outgoing 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 Sources
3'-dehydro-adenosine 5'-triphosphate ChEBI
3'-Keto-3'-deoxy-ATP KEGG COMPOUND
3'-keto-ATP ChEBI
Manual Xref Database
C07024 KEGG COMPOUND
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Last Modified
06 February 2018