CHEBI:44672 - 3'-phosphate-adenosine-5'-diphosphate

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ChEBI Name 3'-phosphate-adenosine-5'-diphosphate
ChEBI ID CHEBI:44672
Definition An adenosine 3'-phosphate that is ADP carrying a phospate group at the 3'-position. It is potent inhibitor of bovine pancreatic ribonuclease A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C10H16N5O13P3
Net Charge 0
Average Mass 507.181
Monoisotopic Mass 506.99575
InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKey GBBWIZKLHXYJOA-KQYNXXCUSA-N
SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O
ChEBI Ontology
Outgoing 3'-phosphate-adenosine-5'-diphosphate (CHEBI:44672) has functional parent ADP (CHEBI:16761)
3'-phosphate-adenosine-5'-diphosphate (CHEBI:44672) is a adenosine 3'-phosphate (CHEBI:37097)
3'-phosphate-adenosine-5'-diphosphate (CHEBI:44672) is a adenosine 5'-phosphate (CHEBI:37096)
Incoming coenzyme A (CHEBI:15346) has functional parent 3'-phosphate-adenosine-5'-diphosphate (CHEBI:44672)
IUPAC Name
adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)
Synonyms Sources
5'-diphosphoadenosine 3'-phosphate ChEBI
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate PDBeChem
adenosine 3'-phosphate 5'-diphosphate ChEBI
Manual Xref Database
PAP PDBeChem
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Registry Number Type Source
13400-10-7 CAS Registry Number ChEBI
Citations Types Sources
10329690 PubMed citation Europe PMC
10441122 PubMed citation Europe PMC
3458707 PubMed citation Europe PMC
9070868 PubMed citation Europe PMC
9154942 PubMed citation Europe PMC
Last Modified
03 June 2024