CHEBI:40096 - adenosine 5'-(hexahydrogen pentaphosphate)

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ChEBI Name adenosine 5'-(hexahydrogen pentaphosphate)
ChEBI ID CHEBI:40096
Definition A nucleoside pentaphosphate that is adenosine in which a hexahydrogen pentaphosphate is attached at the 5' position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H18N5O19P5
Net Charge 0
Average Mass 667.14080
Monoisotopic Mass 666.92841
InChI InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey WYJWVZZCMBUPSP-KQYNXXCUSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing adenosine 5'-(hexahydrogen pentaphosphate) (CHEBI:40096) is a adenosine 5'-phosphate (CHEBI:37096)
adenosine 5'-(hexahydrogen pentaphosphate) (CHEBI:40096) is a nucleoside pentaphosphate (CHEBI:37102)
adenosine 5'-(hexahydrogen pentaphosphate) (CHEBI:40096) is conjugate acid of adenosine 5'-pentaphosphate(6−) (CHEBI:63813)
Incoming adenosine 5'-pentaphosphate(6−) (CHEBI:63813) is conjugate base of adenosine 5'-(hexahydrogen pentaphosphate) (CHEBI:40096)
IUPAC Name
adenosine 5'-(hexahydrogen pentaphosphate)
Synonyms Sources
5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine PDBeChem
5'-O-[hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosine IUPAC
adenosine 5'-pentaphosphate ChemIDplus
ADENOSINE-5'-PENTAPHOSPHATE PDBeChem
Pppppa ChemIDplus
Manual Xrefs Databases
5FA PDBeChem
CPD-11561 MetaCyc
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Registry Numbers Types Sources
14535-90-1 CAS Registry Number ChemIDplus
14535-90-1 CAS Registry Number Reaxys
77306 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12121577 PubMed citation Europe PMC
Last Modified
03 February 2012