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

Default Structure
ChEBI IDCHEBI:40096
ChEBI Nameadenosine 5'-(hexahydrogen pentaphosphate)
Stars
DefinitionA nucleoside pentaphosphate that is adenosine in which a hexahydrogen pentaphosphate is attached at the 5' position.
Last Modified3 February 2012
DownloadsMolfile
FormulaC10H18N5O19P5
Net Charge0
Average Mass667.140
Monoisotopic Mass666.92841
SMILESNc1ncnc2c1ncn2[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
InChIInChI=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
InChIKeyWYJWVZZCMBUPSP-KQYNXXCUSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
adenosine 5'-pentaphosphate(6−) (CHEBI:63813) is conjugate base of adenosine 5'-(hexahydrogen pentaphosphate) (CHEBI:40096)
IUPAC Name 
adenosine 5'-(hexahydrogen pentaphosphate)
Synonyms  Source
5'-O-[hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosineIUPAC
5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosinePDBeChem
adenosine 5'-pentaphosphateChemIDplus
ADENOSINE-5'-PENTAPHOSPHATEPDBeChem
PppppaChemIDplus
Manual XrefsDatabases
5FAPDBeChem
CPD-11561MetaCyc
Registry NumbersSources
Reaxys:77306Reaxys
CAS:14535-90-1Reaxys
CAS:14535-90-1ChemIDplus
Citations